N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide

C15H23N3O2 — CID 61431738

IUPACN-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCc1cc(N)ccc1NC(=O)CN(C)CC1CCCO1
InChIInChI=1S/C15H23N3O2/c1-11-8-12(16)5-6-14(11)17-15(19)10-18(2)9-13-4-3-7-20-13/h5-6,8,13H,3-4,7,9-10,16H2,1-2H3,(H,17,19)
InChIKeyDVNDCQDZRURKRP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.63
Rot. Bonds5

About N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide

N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide (PubChem CID 61431738) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
PubChem CID61431738
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCc1cc(N)ccc1NC(=O)CN(C)CC1CCCO1
InChIInChI=1S/C15H23N3O2/c1-11-8-12(16)5-6-14(11)17-15(19)10-18(2)9-13-4-3-7-20-13/h5-6,8,13H,3-4,7,9-10,16H2,1-2H3,(H,17,19)
InChIKeyDVNDCQDZRURKRP-UHFFFAOYSA-N
XLogP1.63
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.63
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-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63727269
N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
CID 65152082
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302
N-(2-bromo-4-methylphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825232
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 43574823
N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825234
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374519
N-(2,4-dimethoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825214
N-(2-amino-4,6-dichlorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
CID 61431452
N-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
CID 61431161
N-(2-methyl-5-nitrophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825215
N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862492

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide (CID 61431738) is N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide is Cc1cc(N)ccc1NC(=O)CN(C)CC1CCCO1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide?
The InChIKey is DVNDCQDZRURKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-8-12(16)5-6-14(11)17-15(19)10-18(2)9-13-4-3-7-20-13/h5-6,8,13H,3-4,7,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide?
N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 61431738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).