N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide

C30H42N4O4 — CID 17189285

IUPACN,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)CCCCCCCCC(=O)Nc2cccc(NC(=O)C(C)C)c2)c1
InChIInChI=1S/C30H42N4O4/c1-21(2)29(37)33-25-15-11-13-23(19-25)31-27(35)17-9-7-5-6-8-10-18-28(36)32-24-14-12-16-26(20-24)34-30(38)22(3)4/h11-16,19-22H,5-10,17-18H2,1-4H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChIKeyWCRXYZZMQDMRTM-UHFFFAOYSA-N
MW522.69 g/mol
LogP6.57
Rot. Bonds15

About N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide

N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide (PubChem CID 17189285) has the molecular formula C30H42N4O4 and a molecular weight of 522.69 g/mol. Its IUPAC name is N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide.

Molecular Properties

Compound NameN,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide
PubChem CID17189285
Molecular FormulaC30H42N4O4
Molecular Weight522.69 g/mol
Exact Mass522.32
IUPAC NameN,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)CCCCCCCCC(=O)Nc2cccc(NC(=O)C(C)C)c2)c1
InChIInChI=1S/C30H42N4O4/c1-21(2)29(37)33-25-15-11-13-23(19-25)31-27(35)17-9-7-5-6-8-10-18-28(36)32-24-14-12-16-26(20-24)34-30(38)22(3)4/h11-16,19-22H,5-10,17-18H2,1-4H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChIKeyWCRXYZZMQDMRTM-UHFFFAOYSA-N
XLogP6.57
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 56.57
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-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167
5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide
CID 82850255
methyl 4-[3-(2-methylpropanoylamino)anilino]-4-oxobutanoate
CID 17189183
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
3,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 39130919
N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide
CID 17235933
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]-2-methylpropanamide
CID 60851547
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54813263
N-(3-iodophenyl)octanamide
CID 55026619
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809331

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide?
The IUPAC name of N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide (CID 17189285) is N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide.
What is the SMILES notation for N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide?
The canonical SMILES for N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide is CC(C)C(=O)Nc1cccc(NC(=O)CCCCCCCCC(=O)Nc2cccc(NC(=O)C(C)C)c2)c1.
What is the InChIKey of N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide?
The InChIKey is WCRXYZZMQDMRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O4/c1-21(2)29(37)33-25-15-11-13-23(19-25)31-27(35)17-9-7-5-6-8-10-18-28(36)32-24-14-12-16-26(20-24)34-30(38)22(3)4/h11-16,19-22H,5-10,17-18H2,1-4H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38).
What are the key properties of N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide?
N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide has a molecular weight of 522.69 g/mol, XLogP of 6.57, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide is sourced from PubChem (CID 17189285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).