3-[(2-aminoacetyl)amino]-N-(4-methylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide

C26H29N5O4 — CID 69230235

IUPAC3-[(2-aminoacetyl)amino]-N-(4-methylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide
SMILESCc1ccc(NC(=O)C(CNC(=O)CN)NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H29N5O4/c1-18-7-9-20(10-8-18)29-25(33)23(16-28-24(32)15-27)31-26(34)30-21-11-13-22(14-12-21)35-17-19-5-3-2-4-6-19/h2-14,23H,15-17,27H2,1H3,(H,28,32)(H,29,33)(H2,30,31,34)
InChIKeyDETRHKDLFURYFG-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.78
Rot. Bonds10

About 3-[(2-aminoacetyl)amino]-N-(4-methylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide

3-[(2-aminoacetyl)amino]-N-(4-methylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide (PubChem CID 69230235) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is 3-[(2-aminoacetyl)amino]-N-(4-methylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide.

Molecular Properties

Compound Name3-[(2-aminoacetyl)amino]-N-(4-methylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide
PubChem CID69230235
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Name3-[(2-aminoacetyl)amino]-N-(4-methylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide
SMILESCc1ccc(NC(=O)C(CNC(=O)CN)NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H29N5O4/c1-18-7-9-20(10-8-18)29-25(33)23(16-28-24(32)15-27)31-26(34)30-21-11-13-22(14-12-21)35-17-19-5-3-2-4-6-19/h2-14,23H,15-17,27H2,1H3,(H,28,32)(H,29,33)(H2,30,31,34)
InChIKeyDETRHKDLFURYFG-UHFFFAOYSA-N
XLogP2.78
TPSA134.58 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-6-amino-N-(4-methylphenyl)-2-[(3-phenylmethoxyphenyl)carbamoylamino]hexanamide
CID 90970724
N-(6-aminohexyl)-3-phenyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide
CID 69109708
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
(2S)-6-amino-2-[[4-[(2-fluorophenyl)methoxy]phenyl]carbamoylamino]-N-(4-methylphenyl)hexanamide
CID 91429377
tert-butyl (2S)-2-[[(2S)-4-methyl-2-[(4-methylphenyl)carbamoylamino]pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 10231726
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
(2S)-6-amino-N-(4-methylphenyl)-2-[[4-[(3-nitrophenyl)methoxy]phenyl]carbamoylamino]hexanamide
CID 91129944
2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 4638854
N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide
CID 108941699
1-[1-(4-methylphenyl)cyclopropyl]-3-(4-phenylmethoxyphenyl)urea
CID 113215329
benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate
CID 22876656
2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide
CID 4781913

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminoacetyl)amino]-N-(4-methylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide?
The IUPAC name of 3-[(2-aminoacetyl)amino]-N-(4-methylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide (CID 69230235) is 3-[(2-aminoacetyl)amino]-N-(4-methylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide.
What is the SMILES notation for 3-[(2-aminoacetyl)amino]-N-(4-methylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide?
The canonical SMILES for 3-[(2-aminoacetyl)amino]-N-(4-methylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide is Cc1ccc(NC(=O)C(CNC(=O)CN)NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 3-[(2-aminoacetyl)amino]-N-(4-methylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide?
The InChIKey is DETRHKDLFURYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-18-7-9-20(10-8-18)29-25(33)23(16-28-24(32)15-27)31-26(34)30-21-11-13-22(14-12-21)35-17-19-5-3-2-4-6-19/h2-14,23H,15-17,27H2,1H3,(H,28,32)(H,29,33)(H2,30,31,34).
What are the key properties of 3-[(2-aminoacetyl)amino]-N-(4-methylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide?
3-[(2-aminoacetyl)amino]-N-(4-methylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide has a molecular weight of 475.55 g/mol, XLogP of 2.78, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoacetyl)amino]-N-(4-methylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide is sourced from PubChem (CID 69230235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).