1-cyano-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide

C19H24N4O3 — CID 31813984

IUPAC1-cyano-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)CCCC1
InChIInChI=1S/C19H24N4O3/c20-13-19(9-1-2-10-19)17(24)22-14-5-7-15(8-6-14)23-18(25)21-12-16-4-3-11-26-16/h5-8,16H,1-4,9-12H2,(H,22,24)(H2,21,23,25)/t16-/m0/s1
InChIKeyLXVHKMULRAMUQG-INIZCTEOSA-N
MW356.43 g/mol
LogP3.01
Rot. Bonds5

About 1-cyano-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide

1-cyano-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide (PubChem CID 31813984) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-cyano-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide
PubChem CID31813984
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-cyano-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)CCCC1
InChIInChI=1S/C19H24N4O3/c20-13-19(9-1-2-10-19)17(24)22-14-5-7-15(8-6-14)23-18(25)21-12-16-4-3-11-26-16/h5-8,16H,1-4,9-12H2,(H,22,24)(H2,21,23,25)/t16-/m0/s1
InChIKeyLXVHKMULRAMUQG-INIZCTEOSA-N
XLogP3.01
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide
CID 31813987
1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide
CID 56794269
1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 80598955
2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119701961
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185
5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 46537419
1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
CID 94427132
2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974690
4-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoylamino]butanoic acid
CID 122079897
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 55527587

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide (CID 31813984) is 1-cyano-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide is N#CC1(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)CCCC1.
What is the InChIKey of 1-cyano-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide?
The InChIKey is LXVHKMULRAMUQG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O3/c20-13-19(9-1-2-10-19)17(24)22-14-5-7-15(8-6-14)23-18(25)21-12-16-4-3-11-26-16/h5-8,16H,1-4,9-12H2,(H,22,24)(H2,21,23,25)/t16-/m0/s1.
What are the key properties of 1-cyano-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide?
1-cyano-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 31813984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).