N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide

C18H31N3O — CID 82224572

IUPACN-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide
SMILESCCC(C(=O)Nc1ccc(N)cc1)N(CC(C)C)CC(C)C
InChIInChI=1S/C18H31N3O/c1-6-17(21(11-13(2)3)12-14(4)5)18(22)20-16-9-7-15(19)8-10-16/h7-10,13-14,17H,6,11-12,19H2,1-5H3,(H,20,22)
InChIKeyBBYFLQWOJNVLIS-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.60
Rot. Bonds8

About N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide

N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide (PubChem CID 82224572) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide
PubChem CID82224572
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC NameN-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide
SMILESCCC(C(=O)Nc1ccc(N)cc1)N(CC(C)C)CC(C)C
InChIInChI=1S/C18H31N3O/c1-6-17(21(11-13(2)3)12-14(4)5)18(22)20-16-9-7-15(19)8-10-16/h7-10,13-14,17H,6,11-12,19H2,1-5H3,(H,20,22)
InChIKeyBBYFLQWOJNVLIS-UHFFFAOYSA-N
XLogP3.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide
CID 82224626
N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide
CID 82224550
N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide
CID 62921681
N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61242810
N-(4-aminophenyl)-2,3,3-trimethylbutanamide
CID 89148503
(2R)-N-(4-aminophenyl)-2-fluoropropanamide
CID 131168097
N-(4-aminophenyl)-2-bromopropanamide
CID 57300084
N-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide
CID 60886177
3-(4-aminophenyl)-1-butan-2-yl-1-ethylurea
CID 43469114
N-(4-aminophenyl)-3-(diethylamino)butanamide
CID 57129481
N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295413
N-(4-aminophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide
CID 63696461

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide?
The IUPAC name of N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide (CID 82224572) is N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide?
The canonical SMILES for N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide is CCC(C(=O)Nc1ccc(N)cc1)N(CC(C)C)CC(C)C.
What is the InChIKey of N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide?
The InChIKey is BBYFLQWOJNVLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-6-17(21(11-13(2)3)12-14(4)5)18(22)20-16-9-7-15(19)8-10-16/h7-10,13-14,17H,6,11-12,19H2,1-5H3,(H,20,22).
What are the key properties of N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide?
N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide has a molecular weight of 305.47 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide is sourced from PubChem (CID 82224572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).