N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide

C15H21N3O2 — CID 61254791

IUPACN-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESCC(C)NCC(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C15H21N3O2/c1-10(2)16-9-14(19)17-12-5-7-13(8-6-12)18-15(20)11-3-4-11/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQPVIOAFPLDCEAG-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.97
Rot. Bonds6

About N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide

N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 61254791) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID61254791
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESCC(C)NCC(=O)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C15H21N3O2/c1-10(2)16-9-14(19)17-12-5-7-13(8-6-12)18-15(20)11-3-4-11/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQPVIOAFPLDCEAG-UHFFFAOYSA-N
XLogP1.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
N-[4-(4-hydroxypentanoylamino)phenyl]cyclopropanecarboxamide
CID 79193207
N-[4-[3-(ethylamino)butanoylamino]phenyl]cyclopropanecarboxamide
CID 62839619
2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide
CID 54818036
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700150
3-[4-(cyclopropanecarbonylamino)anilino]-3-oxopropanoic acid
CID 62232243
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 60671103
N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 46410880
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide
CID 40790954
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide
CID 112997174

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide (CID 61254791) is N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide is CC(C)NCC(=O)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is QPVIOAFPLDCEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)16-9-14(19)17-12-5-7-13(8-6-12)18-15(20)11-3-4-11/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide?
N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 61254791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).