ethyl N-[4-[3-(propan-2-ylamino)propanoylamino]phenyl]carbamate

C15H23N3O3 — CID 60853812

IUPACethyl N-[4-[3-(propan-2-ylamino)propanoylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)CCNC(C)C)cc1
InChIInChI=1S/C15H23N3O3/c1-4-21-15(20)18-13-7-5-12(6-8-13)17-14(19)9-10-16-11(2)3/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyNHYTYLVGNBDSHI-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.58
Rot. Bonds7

About ethyl N-[4-[3-(propan-2-ylamino)propanoylamino]phenyl]carbamate

ethyl N-[4-[3-(propan-2-ylamino)propanoylamino]phenyl]carbamate (PubChem CID 60853812) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl N-[4-[3-(propan-2-ylamino)propanoylamino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[3-(propan-2-ylamino)propanoylamino]phenyl]carbamate
PubChem CID60853812
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl N-[4-[3-(propan-2-ylamino)propanoylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)CCNC(C)C)cc1
InChIInChI=1S/C15H23N3O3/c1-4-21-15(20)18-13-7-5-12(6-8-13)17-14(19)9-10-16-11(2)3/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyNHYTYLVGNBDSHI-UHFFFAOYSA-N
XLogP2.58
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide
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N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850102
ethyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
CID 43508328
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
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2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate
CID 79338343

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[3-(propan-2-ylamino)propanoylamino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[3-(propan-2-ylamino)propanoylamino]phenyl]carbamate (CID 60853812) is ethyl N-[4-[3-(propan-2-ylamino)propanoylamino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[3-(propan-2-ylamino)propanoylamino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[3-(propan-2-ylamino)propanoylamino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC(=O)CCNC(C)C)cc1.
What is the InChIKey of ethyl N-[4-[3-(propan-2-ylamino)propanoylamino]phenyl]carbamate?
The InChIKey is NHYTYLVGNBDSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-21-15(20)18-13-7-5-12(6-8-13)17-14(19)9-10-16-11(2)3/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of ethyl N-[4-[3-(propan-2-ylamino)propanoylamino]phenyl]carbamate?
ethyl N-[4-[3-(propan-2-ylamino)propanoylamino]phenyl]carbamate has a molecular weight of 293.37 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[3-(propan-2-ylamino)propanoylamino]phenyl]carbamate is sourced from PubChem (CID 60853812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).