N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide

C15H23N3O2 — CID 60984755

IUPACN-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
SMILESCOc1ccc(N)cc1NC(=O)CCN(C)CC1CC1
InChIInChI=1S/C15H23N3O2/c1-18(10-11-3-4-11)8-7-15(19)17-13-9-12(16)5-6-14(13)20-2/h5-6,9,11H,3-4,7-8,10,16H2,1-2H3,(H,17,19)
InChIKeyPYPIMBZEDNUWLP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.95
Rot. Bonds7

About N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide

N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide (PubChem CID 60984755) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
PubChem CID60984755
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
SMILESCOc1ccc(N)cc1NC(=O)CCN(C)CC1CC1
InChIInChI=1S/C15H23N3O2/c1-18(10-11-3-4-11)8-7-15(19)17-13-9-12(16)5-6-14(13)20-2/h5-6,9,11H,3-4,7-8,10,16H2,1-2H3,(H,17,19)
InChIKeyPYPIMBZEDNUWLP-UHFFFAOYSA-N
XLogP1.95
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide
CID 43296317
N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide
CID 63633289
N-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide
CID 62861269
N-(5-amino-2-methoxyphenyl)-2-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984612
N-(5-amino-2-methoxyphenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16785339
N-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide
CID 115985299
N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884054
N-(5-amino-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 16784173
N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862492
N-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide
CID 104551240
N-(5-amino-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63950896
N-(5-amino-2-methoxyphenyl)-2-(cyclopentylmethylsulfinyl)acetamide
CID 63119681

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide (CID 60984755) is N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide is COc1ccc(N)cc1NC(=O)CCN(C)CC1CC1.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide?
The InChIKey is PYPIMBZEDNUWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(10-11-3-4-11)8-7-15(19)17-13-9-12(16)5-6-14(13)20-2/h5-6,9,11H,3-4,7-8,10,16H2,1-2H3,(H,17,19).
What are the key properties of N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide?
N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide is sourced from PubChem (CID 60984755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).