N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide

C27H36N4O4 — CID 17201639

IUPACN,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)CCCC(=O)Nc2ccc(C(=O)NC(C)CC)cc2)cc1
InChIInChI=1S/C27H36N4O4/c1-5-18(3)28-26(34)20-10-14-22(15-11-20)30-24(32)8-7-9-25(33)31-23-16-12-21(13-17-23)27(35)29-19(4)6-2/h10-19H,5-9H2,1-4H3,(H,28,34)(H,29,35)(H,30,32)(H,31,33)
InChIKeyKEOIYUMHXVTLDZ-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.49
Rot. Bonds12

About N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide

N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide (PubChem CID 17201639) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide
PubChem CID17201639
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC NameN,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)CCCC(=O)Nc2ccc(C(=O)NC(C)CC)cc2)cc1
InChIInChI=1S/C27H36N4O4/c1-5-18(3)28-26(34)20-10-14-22(15-11-20)30-24(32)8-7-9-25(33)31-23-16-12-21(13-17-23)27(35)29-19(4)6-2/h10-19H,5-9H2,1-4H3,(H,28,34)(H,29,35)(H,30,32)(H,31,33)
InChIKeyKEOIYUMHXVTLDZ-UHFFFAOYSA-N
XLogP4.49
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide
CID 17201350
5-[4-(butan-2-ylcarbamoyl)anilino]-5-oxopentanoic acid
CID 17201277
N-butan-2-yl-4-(5-methoxypentanoylamino)benzamide
CID 126801750
methyl 4-[4-(butan-2-ylcarbamoyl)anilino]-4-oxobutanoate
CID 17201246
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide
CID 17201204
4-(butanoylamino)-N-[(2R)-pentan-2-yl]benzamide
CID 7318150
(E)-4-[4-(butan-2-ylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 17201190
N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide
CID 42427532
N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 42427493
N-butan-2-yl-4-[[2-(hexadecylamino)acetyl]amino]benzamide
CID 54808993
N-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54836855

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide?
The IUPAC name of N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide (CID 17201639) is N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide.
What is the SMILES notation for N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide?
The canonical SMILES for N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide is CCC(C)NC(=O)c1ccc(NC(=O)CCCC(=O)Nc2ccc(C(=O)NC(C)CC)cc2)cc1.
What is the InChIKey of N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide?
The InChIKey is KEOIYUMHXVTLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-5-18(3)28-26(34)20-10-14-22(15-11-20)30-24(32)8-7-9-25(33)31-23-16-12-21(13-17-23)27(35)29-19(4)6-2/h10-19H,5-9H2,1-4H3,(H,28,34)(H,29,35)(H,30,32)(H,31,33).
What are the key properties of N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide?
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide has a molecular weight of 480.61 g/mol, XLogP of 4.49, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide is sourced from PubChem (CID 17201639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).