N-cyclopentyl-4-[[(2S)-4-(dimethylamino)butan-2-yl]carbamoylamino]benzamide

C19H30N4O2 — CID 95591181

IUPACN-cyclopentyl-4-[[(2S)-4-(dimethylamino)butan-2-yl]carbamoylamino]benzamide
SMILESC[C@@H](CCN(C)C)NC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H30N4O2/c1-14(12-13-23(2)3)20-19(25)22-17-10-8-15(9-11-17)18(24)21-16-6-4-5-7-16/h8-11,14,16H,4-7,12-13H2,1-3H3,(H,21,24)(H2,20,22,25)/t14-/m0/s1
InChIKeyKQDBUWWGVVQDNC-AWEZNQCLSA-N
MW346.48 g/mol
LogP2.82
Rot. Bonds7

About N-cyclopentyl-4-[[(2S)-4-(dimethylamino)butan-2-yl]carbamoylamino]benzamide

N-cyclopentyl-4-[[(2S)-4-(dimethylamino)butan-2-yl]carbamoylamino]benzamide (PubChem CID 95591181) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-cyclopentyl-4-[[(2S)-4-(dimethylamino)butan-2-yl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[(2S)-4-(dimethylamino)butan-2-yl]carbamoylamino]benzamide
PubChem CID95591181
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-cyclopentyl-4-[[(2S)-4-(dimethylamino)butan-2-yl]carbamoylamino]benzamide
SMILESC[C@@H](CCN(C)C)NC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H30N4O2/c1-14(12-13-23(2)3)20-19(25)22-17-10-8-15(9-11-17)18(24)21-16-6-4-5-7-16/h8-11,14,16H,4-7,12-13H2,1-3H3,(H,21,24)(H2,20,22,25)/t14-/m0/s1
InChIKeyKQDBUWWGVVQDNC-AWEZNQCLSA-N
XLogP2.82
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180621
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045756
4-acetamido-N-cyclooctylbenzamide
CID 2990044
1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109044795
N-cyclohexyl-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CID 135141538
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide
CID 16640624
4-(cyclohexylcarbamoylamino)-N-propylbenzamide
CID 17180771
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide
CID 119747199
4-(cyclohexylcarbamoylamino)-N-ethylbenzamide
CID 17234323

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[(2S)-4-(dimethylamino)butan-2-yl]carbamoylamino]benzamide?
The IUPAC name of N-cyclopentyl-4-[[(2S)-4-(dimethylamino)butan-2-yl]carbamoylamino]benzamide (CID 95591181) is N-cyclopentyl-4-[[(2S)-4-(dimethylamino)butan-2-yl]carbamoylamino]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[[(2S)-4-(dimethylamino)butan-2-yl]carbamoylamino]benzamide?
The canonical SMILES for N-cyclopentyl-4-[[(2S)-4-(dimethylamino)butan-2-yl]carbamoylamino]benzamide is C[C@@H](CCN(C)C)NC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-4-[[(2S)-4-(dimethylamino)butan-2-yl]carbamoylamino]benzamide?
The InChIKey is KQDBUWWGVVQDNC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14(12-13-23(2)3)20-19(25)22-17-10-8-15(9-11-17)18(24)21-16-6-4-5-7-16/h8-11,14,16H,4-7,12-13H2,1-3H3,(H,21,24)(H2,20,22,25)/t14-/m0/s1.
What are the key properties of N-cyclopentyl-4-[[(2S)-4-(dimethylamino)butan-2-yl]carbamoylamino]benzamide?
N-cyclopentyl-4-[[(2S)-4-(dimethylamino)butan-2-yl]carbamoylamino]benzamide has a molecular weight of 346.48 g/mol, XLogP of 2.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[(2S)-4-(dimethylamino)butan-2-yl]carbamoylamino]benzamide is sourced from PubChem (CID 95591181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).