2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide

C15H25N3O — CID 61295832

IUPAC2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)N(C)c1cccc(N)c1
InChIInChI=1S/C15H25N3O/c1-11(2)8-9-17-15(19)12(3)18(4)14-7-5-6-13(16)10-14/h5-7,10-12H,8-9,16H2,1-4H3,(H,17,19)
InChIKeyJXSLXAXUTYXWDW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.26
Rot. Bonds6

About 2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide

2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide (PubChem CID 61295832) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide
PubChem CID61295832
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)N(C)c1cccc(N)c1
InChIInChI=1S/C15H25N3O/c1-11(2)8-9-17-15(19)12(3)18(4)14-7-5-6-13(16)10-14/h5-7,10-12H,8-9,16H2,1-4H3,(H,17,19)
InChIKeyJXSLXAXUTYXWDW-UHFFFAOYSA-N
XLogP2.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.26
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

2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 61296584
2-(3-amino-N-methylanilino)-N-phenylpropanamide
CID 61297699
2-[3-(aminomethyl)-N-methylanilino]-N-(2-methylpropyl)propanamide
CID 62970312
2-(3-aminophenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 79133388
2-(3-amino-N-methylanilino)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]propanamide
CID 10293991
2-(N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]anilino)acetic acid
CID 60839596
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173
2-[(3-amino-4-pyridinyl)-methylamino]-N-(3-methylbutyl)propanamide
CID 61358058
3-N-butan-2-yl-3-N-methylbenzene-1,3-diamine
CID 43272599
2-(3-carbamothioyl-N-methylanilino)-N-(3-methoxypropyl)propanamide
CID 62970203
2-(3-cyano-N-methylanilino)-N-(3-methoxypropyl)propanamide
CID 62982263
2-[4-(3-aminophenyl)pyrazol-1-yl]-N-(3-methylbutyl)acetamide
CID 63338592

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide (CID 61295832) is 2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)N(C)c1cccc(N)c1.
What is the InChIKey of 2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide?
The InChIKey is JXSLXAXUTYXWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)8-9-17-15(19)12(3)18(4)14-7-5-6-13(16)10-14/h5-7,10-12H,8-9,16H2,1-4H3,(H,17,19).
What are the key properties of 2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide?
2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide has a molecular weight of 263.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 61295832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).