N-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide

C16H25N3O — CID 63878531

IUPACN-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
SMILESCc1cc(N)ccc1NC(=O)CCN(C)CC1CC1C
InChIInChI=1S/C16H25N3O/c1-11-8-13(11)10-19(3)7-6-16(20)18-15-5-4-14(17)9-12(15)2/h4-5,9,11,13H,6-8,10,17H2,1-3H3,(H,18,20)
InChIKeyBQOXNSNLXPYCBG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.49
Rot. Bonds6

About N-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide

N-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide (PubChem CID 63878531) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
PubChem CID63878531
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
SMILESCc1cc(N)ccc1NC(=O)CCN(C)CC1CC1C
InChIInChI=1S/C16H25N3O/c1-11-8-13(11)10-19(3)7-6-16(20)18-15-5-4-14(17)9-12(15)2/h4-5,9,11,13H,6-8,10,17H2,1-3H3,(H,18,20)
InChIKeyBQOXNSNLXPYCBG-UHFFFAOYSA-N
XLogP2.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.49
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-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide
CID 43270832
N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862492
N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide
CID 55257085
N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569678
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 43574823
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374519
N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16779092
N-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 16783001
N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide
CID 63633289
N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63864973
N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
CID 61431738
N-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63727269

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide (CID 63878531) is N-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide is Cc1cc(N)ccc1NC(=O)CCN(C)CC1CC1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide?
The InChIKey is BQOXNSNLXPYCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-8-13(11)10-19(3)7-6-16(20)18-15-5-4-14(17)9-12(15)2/h4-5,9,11,13H,6-8,10,17H2,1-3H3,(H,18,20).
What are the key properties of N-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide?
N-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide has a molecular weight of 275.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide is sourced from PubChem (CID 63878531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).