ethane;2-formamido-3-methoxy-N-methylbutanamide;methyl 2-formamido-3-hydroxypropanoate

C14H29N3O7 — CID 170759237

IUPACethane;2-formamido-3-methoxy-N-methylbutanamide;methyl 2-formamido-3-hydroxypropanoate
SMILESCC.CNC(=O)C(NC=O)C(C)OC.COC(=O)C(CO)NC=O
InChIInChI=1S/C7H14N2O3.C5H9NO4.C2H6/c1-5(12-3)6(9-4-10)7(11)8-2;1-10-5(9)4(2-7)6-3-8;1-2/h4-6H,1-3H3,(H,8,11)(H,9,10);3-4,7H,2H2,1H3,(H,6,8);1-2H3
InChIKeyNDEMWPVUHQBJQN-UHFFFAOYSA-N
MW351.40 g/mol
LogP-1.83
Rot. Bonds9

About ethane;2-formamido-3-methoxy-N-methylbutanamide;methyl 2-formamido-3-hydroxypropanoate

ethane;2-formamido-3-methoxy-N-methylbutanamide;methyl 2-formamido-3-hydroxypropanoate (PubChem CID 170759237) has the molecular formula C14H29N3O7 and a molecular weight of 351.40 g/mol. Its IUPAC name is ethane;2-formamido-3-methoxy-N-methylbutanamide;methyl 2-formamido-3-hydroxypropanoate.

Molecular Properties

Compound Nameethane;2-formamido-3-methoxy-N-methylbutanamide;methyl 2-formamido-3-hydroxypropanoate
PubChem CID170759237
Molecular FormulaC14H29N3O7
Molecular Weight351.40 g/mol
Exact Mass351.20
IUPAC Nameethane;2-formamido-3-methoxy-N-methylbutanamide;methyl 2-formamido-3-hydroxypropanoate
SMILESCC.CNC(=O)C(NC=O)C(C)OC.COC(=O)C(CO)NC=O
InChIInChI=1S/C7H14N2O3.C5H9NO4.C2H6/c1-5(12-3)6(9-4-10)7(11)8-2;1-10-5(9)4(2-7)6-3-8;1-2/h4-6H,1-3H3,(H,8,11)(H,9,10);3-4,7H,2H2,1H3,(H,6,8);1-2H3
InChIKeyNDEMWPVUHQBJQN-UHFFFAOYSA-N
XLogP-1.83
TPSA143.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethane;2-formamido-3-methoxy-N-methylbutanamide;methyl 2-formamido-3-hydroxypropanoate with MolForge

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Related Compounds

methyl 2-formamido-3-hydroxypropanoate
CID 20784540
3-(1-bicyclo[2.2.1]heptanylmethoxy)-2-formamido-N-methylbutanamide
CID 170758734
(2S)-3-hydroxy-N,2-dimethylpropanamide
CID 58246856
CID 171639060
CID 171639060
methyl (2S)-3-hydroxy-2-(iodoamino)propanoate
CID 147455572
methyl (2R)-2-formamidopropanoate
CID 11651157
methyl 2-formamido-5-[(6-hydroxy-5-methylhexyl)amino]-5-oxopentanoate
CID 170956290
methyl 2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-hydroxypropanoate
CID 43407051
methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-4-methylpentanoate
CID 159698118
methyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoate
CID 101237851
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
methyl 2-[(2-cyano-3-methylbutanoyl)amino]-3-hydroxypropanoate
CID 107856870

Frequently Asked Questions

What is the IUPAC name of ethane;2-formamido-3-methoxy-N-methylbutanamide;methyl 2-formamido-3-hydroxypropanoate?
The IUPAC name of ethane;2-formamido-3-methoxy-N-methylbutanamide;methyl 2-formamido-3-hydroxypropanoate (CID 170759237) is ethane;2-formamido-3-methoxy-N-methylbutanamide;methyl 2-formamido-3-hydroxypropanoate.
What is the SMILES notation for ethane;2-formamido-3-methoxy-N-methylbutanamide;methyl 2-formamido-3-hydroxypropanoate?
The canonical SMILES for ethane;2-formamido-3-methoxy-N-methylbutanamide;methyl 2-formamido-3-hydroxypropanoate is CC.CNC(=O)C(NC=O)C(C)OC.COC(=O)C(CO)NC=O.
What is the InChIKey of ethane;2-formamido-3-methoxy-N-methylbutanamide;methyl 2-formamido-3-hydroxypropanoate?
The InChIKey is NDEMWPVUHQBJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3.C5H9NO4.C2H6/c1-5(12-3)6(9-4-10)7(11)8-2;1-10-5(9)4(2-7)6-3-8;1-2/h4-6H,1-3H3,(H,8,11)(H,9,10);3-4,7H,2H2,1H3,(H,6,8);1-2H3.
What are the key properties of ethane;2-formamido-3-methoxy-N-methylbutanamide;methyl 2-formamido-3-hydroxypropanoate?
ethane;2-formamido-3-methoxy-N-methylbutanamide;methyl 2-formamido-3-hydroxypropanoate has a molecular weight of 351.40 g/mol, XLogP of -1.83, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-formamido-3-methoxy-N-methylbutanamide;methyl 2-formamido-3-hydroxypropanoate is sourced from PubChem (CID 170759237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).