N-ethylethanamine;[4-[(2-formamidoacetyl)amino]phenyl]methyl 2-methylpropanoate;2-formamido-N-(1-phenylpropan-2-yl)acetamide

C30H45N5O6 — CID 171804766

IUPACN-ethylethanamine;[4-[(2-formamidoacetyl)amino]phenyl]methyl 2-methylpropanoate;2-formamido-N-(1-phenylpropan-2-yl)acetamide
SMILESCC(C)C(=O)OCc1ccc(NC(=O)CNC=O)cc1.CC(Cc1ccccc1)NC(=O)CNC=O.CCNCC
InChIInChI=1S/C14H18N2O4.C12H16N2O2.C4H11N/c1-10(2)14(19)20-8-11-3-5-12(6-4-11)16-13(18)7-15-9-17;1-10(14-12(16)8-13-9-15)7-11-5-3-2-4-6-11;1-3-5-4-2/h3-6,9-10H,7-8H2,1-2H3,(H,15,17)(H,16,18);2-6,9-10H,7-8H2,1H3,(H,13,15)(H,14,16);5H,3-4H2,1-2H3
InChIKeyYCHZWWVGQRRQDY-UHFFFAOYSA-N
MW571.72 g/mol
LogP2.17
Rot. Bonds15

About N-ethylethanamine;[4-[(2-formamidoacetyl)amino]phenyl]methyl 2-methylpropanoate;2-formamido-N-(1-phenylpropan-2-yl)acetamide

N-ethylethanamine;[4-[(2-formamidoacetyl)amino]phenyl]methyl 2-methylpropanoate;2-formamido-N-(1-phenylpropan-2-yl)acetamide (PubChem CID 171804766) has the molecular formula C30H45N5O6 and a molecular weight of 571.72 g/mol. Its IUPAC name is N-ethylethanamine;[4-[(2-formamidoacetyl)amino]phenyl]methyl 2-methylpropanoate;2-formamido-N-(1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-ethylethanamine;[4-[(2-formamidoacetyl)amino]phenyl]methyl 2-methylpropanoate;2-formamido-N-(1-phenylpropan-2-yl)acetamide
PubChem CID171804766
Molecular FormulaC30H45N5O6
Molecular Weight571.72 g/mol
Exact Mass571.34
IUPAC NameN-ethylethanamine;[4-[(2-formamidoacetyl)amino]phenyl]methyl 2-methylpropanoate;2-formamido-N-(1-phenylpropan-2-yl)acetamide
SMILESCC(C)C(=O)OCc1ccc(NC(=O)CNC=O)cc1.CC(Cc1ccccc1)NC(=O)CNC=O.CCNCC
InChIInChI=1S/C14H18N2O4.C12H16N2O2.C4H11N/c1-10(2)14(19)20-8-11-3-5-12(6-4-11)16-13(18)7-15-9-17;1-10(14-12(16)8-13-9-15)7-11-5-3-2-4-6-11;1-3-5-4-2/h3-6,9-10H,7-8H2,1-2H3,(H,15,17)(H,16,18);2-6,9-10H,7-8H2,1H3,(H,13,15)(H,14,16);5H,3-4H2,1-2H3
InChIKeyYCHZWWVGQRRQDY-UHFFFAOYSA-N
XLogP2.17
TPSA154.73 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.72
LogP ≤ 52.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[4-[(2-formamidoacetyl)amino]phenyl]methyl N-(2-methylpropyl)carbamate
CID 170966798
ethane;2-formamido-N-[4-(methylaminomethyl)phenyl]acetamide;(2R)-N-methyl-1-phenylpropan-2-amine;propylurea
CID 171545608
[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate
CID 162728348
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide
CID 79278946
benzyl 2-[(4-methylphenyl)carbamothioylamino]-3-phenylpropanoate
CID 135183764
ethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate
CID 170794624
2-[(2-formamidoacetyl)amino]-3-phenylpropanoic acid
CID 86010429
[4-[(2-formamidoacetyl)amino]phenyl]methyl hydrogen carbonate;3-hydroxy-2,2-dimethyl-N-(3-methylbutan-2-yl)propanamide;3-methylbutan-1-amine
CID 163384584
2-hydroxy-N-(1-phenylpropan-2-yl)acetamide
CID 163342933
[4-[[(2S)-6-amino-2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]phenyl]methyl 2-methylpropanoate
CID 163515152
[4-[[(2S)-6-amino-2-[[(2S)-2-(8-methylnonanoylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]phenyl]methyl 2-methylpropanoate
CID 167691462

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;[4-[(2-formamidoacetyl)amino]phenyl]methyl 2-methylpropanoate;2-formamido-N-(1-phenylpropan-2-yl)acetamide?
The IUPAC name of N-ethylethanamine;[4-[(2-formamidoacetyl)amino]phenyl]methyl 2-methylpropanoate;2-formamido-N-(1-phenylpropan-2-yl)acetamide (CID 171804766) is N-ethylethanamine;[4-[(2-formamidoacetyl)amino]phenyl]methyl 2-methylpropanoate;2-formamido-N-(1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for N-ethylethanamine;[4-[(2-formamidoacetyl)amino]phenyl]methyl 2-methylpropanoate;2-formamido-N-(1-phenylpropan-2-yl)acetamide?
The canonical SMILES for N-ethylethanamine;[4-[(2-formamidoacetyl)amino]phenyl]methyl 2-methylpropanoate;2-formamido-N-(1-phenylpropan-2-yl)acetamide is CC(C)C(=O)OCc1ccc(NC(=O)CNC=O)cc1.CC(Cc1ccccc1)NC(=O)CNC=O.CCNCC.
What is the InChIKey of N-ethylethanamine;[4-[(2-formamidoacetyl)amino]phenyl]methyl 2-methylpropanoate;2-formamido-N-(1-phenylpropan-2-yl)acetamide?
The InChIKey is YCHZWWVGQRRQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4.C12H16N2O2.C4H11N/c1-10(2)14(19)20-8-11-3-5-12(6-4-11)16-13(18)7-15-9-17;1-10(14-12(16)8-13-9-15)7-11-5-3-2-4-6-11;1-3-5-4-2/h3-6,9-10H,7-8H2,1-2H3,(H,15,17)(H,16,18);2-6,9-10H,7-8H2,1H3,(H,13,15)(H,14,16);5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;[4-[(2-formamidoacetyl)amino]phenyl]methyl 2-methylpropanoate;2-formamido-N-(1-phenylpropan-2-yl)acetamide?
N-ethylethanamine;[4-[(2-formamidoacetyl)amino]phenyl]methyl 2-methylpropanoate;2-formamido-N-(1-phenylpropan-2-yl)acetamide has a molecular weight of 571.72 g/mol, XLogP of 2.17, 15 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;[4-[(2-formamidoacetyl)amino]phenyl]methyl 2-methylpropanoate;2-formamido-N-(1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 171804766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).