N-(2-aminophenyl)-N',N'-dipropylbutanediamide

C16H25N3O2 — CID 119421937

IUPACN-(2-aminophenyl)-N',N'-dipropylbutanediamide
SMILESCCCN(CCC)C(=O)CCC(=O)Nc1ccccc1N
InChIInChI=1S/C16H25N3O2/c1-3-11-19(12-4-2)16(21)10-9-15(20)18-14-8-6-5-7-13(14)17/h5-8H,3-4,9-12,17H2,1-2H3,(H,18,20)
InChIKeyOVFUHSUYJKQHKC-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.64
Rot. Bonds8

About N-(2-aminophenyl)-N',N'-dipropylbutanediamide

N-(2-aminophenyl)-N',N'-dipropylbutanediamide (PubChem CID 119421937) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2-aminophenyl)-N',N'-dipropylbutanediamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N',N'-dipropylbutanediamide
PubChem CID119421937
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(2-aminophenyl)-N',N'-dipropylbutanediamide
SMILESCCCN(CCC)C(=O)CCC(=O)Nc1ccccc1N
InChIInChI=1S/C16H25N3O2/c1-3-11-19(12-4-2)16(21)10-9-15(20)18-14-8-6-5-7-13(14)17/h5-8H,3-4,9-12,17H2,1-2H3,(H,18,20)
InChIKeyOVFUHSUYJKQHKC-UHFFFAOYSA-N
XLogP2.64
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride
CID 119421936
N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide
CID 43268382
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-3-[methoxy(methyl)amino]propanamide
CID 43627652
N-(2-fluorophenyl)-N',N'-dipropylpropanediamide
CID 108952439
N-(2-aminophenyl)-3-[methyl(pentan-3-yl)amino]propanamide
CID 43570657
1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119422209
N-(6-amino-3-pyridinyl)-N',N'-dipropylbutanediamide
CID 119515057
N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide
CID 61440644
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
3-[[4-(dipropylamino)-4-oxobutanoyl]amino]-4-methylbenzoic acid
CID 119219410

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N',N'-dipropylbutanediamide?
The IUPAC name of N-(2-aminophenyl)-N',N'-dipropylbutanediamide (CID 119421937) is N-(2-aminophenyl)-N',N'-dipropylbutanediamide.
What is the SMILES notation for N-(2-aminophenyl)-N',N'-dipropylbutanediamide?
The canonical SMILES for N-(2-aminophenyl)-N',N'-dipropylbutanediamide is CCCN(CCC)C(=O)CCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-N',N'-dipropylbutanediamide?
The InChIKey is OVFUHSUYJKQHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-11-19(12-4-2)16(21)10-9-15(20)18-14-8-6-5-7-13(14)17/h5-8H,3-4,9-12,17H2,1-2H3,(H,18,20).
What are the key properties of N-(2-aminophenyl)-N',N'-dipropylbutanediamide?
N-(2-aminophenyl)-N',N'-dipropylbutanediamide has a molecular weight of 291.39 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N',N'-dipropylbutanediamide is sourced from PubChem (CID 119421937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).