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

C14H23N3O2 — CID 62335489

IUPACN-(4-amino-2-methylphenyl)-2-[2-hydroxypropyl(methyl)amino]propanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)N(C)CC(C)O
InChIInChI=1S/C14H23N3O2/c1-9-7-12(15)5-6-13(9)16-14(19)11(3)17(4)8-10(2)18/h5-7,10-11,18H,8,15H2,1-4H3,(H,16,19)
InChIKeyKOYBBKCWSOSMRY-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.22
Rot. Bonds5

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

N-(4-amino-2-methylphenyl)-2-[2-hydroxypropyl(methyl)amino]propanamide (PubChem CID 62335489) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-[2-hydroxypropyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-[2-hydroxypropyl(methyl)amino]propanamide
PubChem CID62335489
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(4-amino-2-methylphenyl)-2-[2-hydroxypropyl(methyl)amino]propanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)N(C)CC(C)O
InChIInChI=1S/C14H23N3O2/c1-9-7-12(15)5-6-13(9)16-14(19)11(3)17(4)8-10(2)18/h5-7,10-11,18H,8,15H2,1-4H3,(H,16,19)
InChIKeyKOYBBKCWSOSMRY-UHFFFAOYSA-N
XLogP1.22
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)-2-[2-cyanoethyl(methyl)amino]propanamide
CID 43186151
N-(4-amino-2-methylphenyl)-2-[3-methoxypropyl(methyl)amino]propanamide
CID 62983726
N-(4-amino-2-methylphenyl)-2-(dipropylamino)propanamide
CID 16779619
N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526601
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide
CID 43271750
N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide
CID 43382336
N-(5-amino-2-fluorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295369
N-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide
CID 79843396
N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569678
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
3-(4-amino-2-methylphenyl)-1-ethyl-1-methylurea
CID 79152927

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-[2-hydroxypropyl(methyl)amino]propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-[2-hydroxypropyl(methyl)amino]propanamide (CID 62335489) is N-(4-amino-2-methylphenyl)-2-[2-hydroxypropyl(methyl)amino]propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-[2-hydroxypropyl(methyl)amino]propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-[2-hydroxypropyl(methyl)amino]propanamide is Cc1cc(N)ccc1NC(=O)C(C)N(C)CC(C)O.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-[2-hydroxypropyl(methyl)amino]propanamide?
The InChIKey is KOYBBKCWSOSMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9-7-12(15)5-6-13(9)16-14(19)11(3)17(4)8-10(2)18/h5-7,10-11,18H,8,15H2,1-4H3,(H,16,19).
What are the key properties of N-(4-amino-2-methylphenyl)-2-[2-hydroxypropyl(methyl)amino]propanamide?
N-(4-amino-2-methylphenyl)-2-[2-hydroxypropyl(methyl)amino]propanamide has a molecular weight of 265.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-[2-hydroxypropyl(methyl)amino]propanamide is sourced from PubChem (CID 62335489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).