N-cyclopentyl-2-[[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylphenyl]carbamoylamino]propanamide

C25H38N6O4 — CID 47075790

IUPACN-cyclopentyl-2-[[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylphenyl]carbamoylamino]propanamide
SMILESCc1ccc(NC(=O)NC(C)C(=O)NC2CCCC2)cc1NC(=O)NC(C)C(=O)NC1CCCC1
InChIInChI=1S/C25H38N6O4/c1-15-12-13-20(30-24(34)26-16(2)22(32)28-18-8-4-5-9-18)14-21(15)31-25(35)27-17(3)23(33)29-19-10-6-7-11-19/h12-14,16-19H,4-11H2,1-3H3,(H,28,32)(H,29,33)(H2,26,30,34)(H2,27,31,35)
InChIKeyNYFCMWDNVOTHGE-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.13
Rot. Bonds8

About N-cyclopentyl-2-[[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylphenyl]carbamoylamino]propanamide

N-cyclopentyl-2-[[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylphenyl]carbamoylamino]propanamide (PubChem CID 47075790) has the molecular formula C25H38N6O4 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-cyclopentyl-2-[[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylphenyl]carbamoylamino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylphenyl]carbamoylamino]propanamide
PubChem CID47075790
Molecular FormulaC25H38N6O4
Molecular Weight486.62 g/mol
Exact Mass486.30
IUPAC NameN-cyclopentyl-2-[[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylphenyl]carbamoylamino]propanamide
SMILESCc1ccc(NC(=O)NC(C)C(=O)NC2CCCC2)cc1NC(=O)NC(C)C(=O)NC1CCCC1
InChIInChI=1S/C25H38N6O4/c1-15-12-13-20(30-24(34)26-16(2)22(32)28-18-8-4-5-9-18)14-21(15)31-25(35)27-17(3)23(33)29-19-10-6-7-11-19/h12-14,16-19H,4-11H2,1-3H3,(H,28,32)(H,29,33)(H2,26,30,34)(H2,27,31,35)
InChIKeyNYFCMWDNVOTHGE-UHFFFAOYSA-N
XLogP3.13
TPSA140.46 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 53.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 47075783
2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 47075796
(2R)-2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 94779767
2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 47041621
(2R)-N-cyclopentyl-2-(2,5-dimethylanilino)propanamide
CID 28827851
N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide
CID 94692031
N-cyclopentyl-2-(cyclopropylcarbamoylamino)propanamide
CID 47076626
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54846165
N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 94177222
1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea
CID 116656999
N-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
CID 17180897

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylphenyl]carbamoylamino]propanamide?
The IUPAC name of N-cyclopentyl-2-[[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylphenyl]carbamoylamino]propanamide (CID 47075790) is N-cyclopentyl-2-[[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylphenyl]carbamoylamino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylphenyl]carbamoylamino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylphenyl]carbamoylamino]propanamide is Cc1ccc(NC(=O)NC(C)C(=O)NC2CCCC2)cc1NC(=O)NC(C)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylphenyl]carbamoylamino]propanamide?
The InChIKey is NYFCMWDNVOTHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6O4/c1-15-12-13-20(30-24(34)26-16(2)22(32)28-18-8-4-5-9-18)14-21(15)31-25(35)27-17(3)23(33)29-19-10-6-7-11-19/h12-14,16-19H,4-11H2,1-3H3,(H,28,32)(H,29,33)(H2,26,30,34)(H2,27,31,35).
What are the key properties of N-cyclopentyl-2-[[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylphenyl]carbamoylamino]propanamide?
N-cyclopentyl-2-[[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylphenyl]carbamoylamino]propanamide has a molecular weight of 486.62 g/mol, XLogP of 3.13, 8 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylphenyl]carbamoylamino]propanamide is sourced from PubChem (CID 47075790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).