N-(3-aminophenyl)-2-[butyl(ethyl)amino]-3-methylbutanamide

C17H29N3O — CID 82224645

IUPACN-(3-aminophenyl)-2-[butyl(ethyl)amino]-3-methylbutanamide
SMILESCCCCN(CC)C(C(=O)Nc1cccc(N)c1)C(C)C
InChIInChI=1S/C17H29N3O/c1-5-7-11-20(6-2)16(13(3)4)17(21)19-15-10-8-9-14(18)12-15/h8-10,12-13,16H,5-7,11,18H2,1-4H3,(H,19,21)
InChIKeyDCTQGMXEMSHBFZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.35
Rot. Bonds8

About N-(3-aminophenyl)-2-[butyl(ethyl)amino]-3-methylbutanamide

N-(3-aminophenyl)-2-[butyl(ethyl)amino]-3-methylbutanamide (PubChem CID 82224645) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-[butyl(ethyl)amino]-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-[butyl(ethyl)amino]-3-methylbutanamide
PubChem CID82224645
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(3-aminophenyl)-2-[butyl(ethyl)amino]-3-methylbutanamide
SMILESCCCCN(CC)C(C(=O)Nc1cccc(N)c1)C(C)C
InChIInChI=1S/C17H29N3O/c1-5-7-11-20(6-2)16(13(3)4)17(21)19-15-10-8-9-14(18)12-15/h8-10,12-13,16H,5-7,11,18H2,1-4H3,(H,19,21)
InChIKeyDCTQGMXEMSHBFZ-UHFFFAOYSA-N
XLogP3.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.35
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-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide
CID 102991480
N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715
2-[(2-amino-2-oxoethyl)-ethylamino]-N-(3-aminophenyl)propanamide
CID 103101365
N-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide
CID 82224695
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
2-[[1-(3-aminoanilino)-3-methyl-1-oxobutan-2-yl]-methylamino]acetic acid
CID 82224656
N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 43588029
N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide
CID 82224626
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3-aminophenyl)-2-(dibutylamino)acetamide
CID 28982406
N-(3-aminophenyl)-2-butylsulfonylpropanamide
CID 43615888

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-[butyl(ethyl)amino]-3-methylbutanamide?
The IUPAC name of N-(3-aminophenyl)-2-[butyl(ethyl)amino]-3-methylbutanamide (CID 82224645) is N-(3-aminophenyl)-2-[butyl(ethyl)amino]-3-methylbutanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-[butyl(ethyl)amino]-3-methylbutanamide?
The canonical SMILES for N-(3-aminophenyl)-2-[butyl(ethyl)amino]-3-methylbutanamide is CCCCN(CC)C(C(=O)Nc1cccc(N)c1)C(C)C.
What is the InChIKey of N-(3-aminophenyl)-2-[butyl(ethyl)amino]-3-methylbutanamide?
The InChIKey is DCTQGMXEMSHBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-7-11-20(6-2)16(13(3)4)17(21)19-15-10-8-9-14(18)12-15/h8-10,12-13,16H,5-7,11,18H2,1-4H3,(H,19,21).
What are the key properties of N-(3-aminophenyl)-2-[butyl(ethyl)amino]-3-methylbutanamide?
N-(3-aminophenyl)-2-[butyl(ethyl)amino]-3-methylbutanamide has a molecular weight of 291.44 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-[butyl(ethyl)amino]-3-methylbutanamide is sourced from PubChem (CID 82224645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).