ethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate

C19H29N3O4 — CID 55654735

IUPACethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)CNC(=O)Cc1ccccc1)CC(C)C
InChIInChI=1S/C19H29N3O4/c1-4-26-19(25)22-16(10-14(2)3)12-20-18(24)13-21-17(23)11-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyXOHJNQNKAVZBCL-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.62
Rot. Bonds10

About ethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate

ethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate (PubChem CID 55654735) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is ethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate
PubChem CID55654735
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nameethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)CNC(=O)Cc1ccccc1)CC(C)C
InChIInChI=1S/C19H29N3O4/c1-4-26-19(25)22-16(10-14(2)3)12-20-18(24)13-21-17(23)11-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyXOHJNQNKAVZBCL-UHFFFAOYSA-N
XLogP1.62
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate
CID 110288491
ethyl N-[1-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-4-methylpentan-2-yl]carbamate
CID 56504562
ethyl N-[(2S)-1-[(2-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929483
ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 42959669
ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929569
ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate
CID 95352835
ethyl N-[4-methyl-1-[(2-nitrobenzoyl)amino]pentan-2-yl]carbamate
CID 46432668
ethyl N-[4-methyl-1-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]pentan-2-yl]carbamate;hydroiodide
CID 110949833
ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate
CID 55654736
ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929597
ethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
CID 60566688
ethyl N-[4-methyl-1-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]pentan-2-yl]carbamate
CID 55654909

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate?
The IUPAC name of ethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate (CID 55654735) is ethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)CNC(=O)Cc1ccccc1)CC(C)C.
What is the InChIKey of ethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate?
The InChIKey is XOHJNQNKAVZBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-4-26-19(25)22-16(10-14(2)3)12-20-18(24)13-21-17(23)11-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of ethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate?
ethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate has a molecular weight of 363.46 g/mol, XLogP of 1.62, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate is sourced from PubChem (CID 55654735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).