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

C32H46N4O4 — CID 17201350

IUPACN,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(C(=O)NC(C)CC)cc2)cc1
InChIInChI=1S/C32H46N4O4/c1-5-23(3)33-31(39)25-15-19-27(20-16-25)35-29(37)13-11-9-7-8-10-12-14-30(38)36-28-21-17-26(18-22-28)32(40)34-24(4)6-2/h15-24H,5-14H2,1-4H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)
InChIKeyRDYWTZSVGRUUHA-UHFFFAOYSA-N
MW550.74 g/mol
LogP6.44
Rot. Bonds17

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

N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide (PubChem CID 17201350) has the molecular formula C32H46N4O4 and a molecular weight of 550.74 g/mol. Its IUPAC name is N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide
PubChem CID17201350
Molecular FormulaC32H46N4O4
Molecular Weight550.74 g/mol
Exact Mass550.35
IUPAC NameN,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(C(=O)NC(C)CC)cc2)cc1
InChIInChI=1S/C32H46N4O4/c1-5-23(3)33-31(39)25-15-19-27(20-16-25)35-29(37)13-11-9-7-8-10-12-14-30(38)36-28-21-17-26(18-22-28)32(40)34-24(4)6-2/h15-24H,5-14H2,1-4H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)
InChIKeyRDYWTZSVGRUUHA-UHFFFAOYSA-N
XLogP6.44
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.74
LogP ≤ 56.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide
CID 17201639
N-butan-2-yl-4-(5-methoxypentanoylamino)benzamide
CID 126801750
5-[4-(butan-2-ylcarbamoyl)anilino]-5-oxopentanoic acid
CID 17201277
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
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
4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide
CID 79199156
N-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide
CID 42579564
N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide
CID 42427532

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide?
The IUPAC name of N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide (CID 17201350) is N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide.
What is the SMILES notation for N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide?
The canonical SMILES for N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide is CCC(C)NC(=O)c1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(C(=O)NC(C)CC)cc2)cc1.
What is the InChIKey of N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide?
The InChIKey is RDYWTZSVGRUUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N4O4/c1-5-23(3)33-31(39)25-15-19-27(20-16-25)35-29(37)13-11-9-7-8-10-12-14-30(38)36-28-21-17-26(18-22-28)32(40)34-24(4)6-2/h15-24H,5-14H2,1-4H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38).
What are the key properties of N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide?
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide has a molecular weight of 550.74 g/mol, XLogP of 6.44, 17 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]decanediamide is sourced from PubChem (CID 17201350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).