N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide

C18H30N2O — CID 63833559

IUPACN-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide
SMILESCC(C)N(Cc1ccccc1N)C(=O)CC(C)C(C)(C)C
InChIInChI=1S/C18H30N2O/c1-13(2)20(12-15-9-7-8-10-16(15)19)17(21)11-14(3)18(4,5)6/h7-10,13-14H,11-12,19H2,1-6H3
InChIKeyKZQRBZYVLOQUEP-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.08
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide

N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide (PubChem CID 63833559) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide
PubChem CID63833559
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide
SMILESCC(C)N(Cc1ccccc1N)C(=O)CC(C)C(C)(C)C
InChIInChI=1S/C18H30N2O/c1-13(2)20(12-15-9-7-8-10-16(15)19)17(21)11-14(3)18(4,5)6/h7-10,13-14H,11-12,19H2,1-6H3
InChIKeyKZQRBZYVLOQUEP-UHFFFAOYSA-N
XLogP4.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384061
N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide
CID 43460336
N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205556
N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(thian-4-yl)acetamide
CID 83136533
N-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide
CID 103205555
N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide
CID 43460393
1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
CID 62700033
2-[(2-aminophenyl)methyl-propan-2-ylamino]butanamide
CID 62899492
2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-methylacetamide
CID 43460418
2-[propan-2-yl(3,4,4-trimethylpentanoyl)amino]acetic acid
CID 63832512
N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yloxolane-2-carboxamide
CID 81324279
N-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide
CID 81116677

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide (CID 63833559) is N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide is CC(C)N(Cc1ccccc1N)C(=O)CC(C)C(C)(C)C.
What is the InChIKey of N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide?
The InChIKey is KZQRBZYVLOQUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(2)20(12-15-9-7-8-10-16(15)19)17(21)11-14(3)18(4,5)6/h7-10,13-14H,11-12,19H2,1-6H3.
What are the key properties of N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide?
N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide has a molecular weight of 290.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide is sourced from PubChem (CID 63833559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).