N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride

C16H22ClN3O2 — CID 119700150

IUPACN-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C16H21N3O2.ClH/c20-15(10-17-9-11-1-2-11)18-13-5-7-14(8-6-13)19-16(21)12-3-4-12;/h5-8,11-12,17H,1-4,9-10H2,(H,18,20)(H,19,21);1H
InChIKeyOAUMXUOJDWQJKP-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.39
Rot. Bonds7

About N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride

N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 119700150) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride
PubChem CID119700150
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C16H21N3O2.ClH/c20-15(10-17-9-11-1-2-11)18-13-5-7-14(8-6-13)19-16(21)12-3-4-12;/h5-8,11-12,17H,1-4,9-10H2,(H,18,20)(H,19,21);1H
InChIKeyOAUMXUOJDWQJKP-UHFFFAOYSA-N
XLogP2.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119672411
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119694268
1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119768106
N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119752578
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
N-(4-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
CID 106133833
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide
CID 60868348
2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 119758034
2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride
CID 119701886
N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 61254791

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride (CID 119700150) is N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride is Cl.O=C(CNCC1CC1)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is OAUMXUOJDWQJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c20-15(10-17-9-11-1-2-11)18-13-5-7-14(8-6-13)19-16(21)12-3-4-12;/h5-8,11-12,17H,1-4,9-10H2,(H,18,20)(H,19,21);1H.
What are the key properties of N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride?
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 119700150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).