6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide

C18H30N2O — CID 65291164

IUPAC6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide
SMILESCC(N)CCCC(C)C(=O)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-13(2)17-10-8-16(9-11-17)12-20-18(21)14(3)6-5-7-15(4)19/h8-11,13-15H,5-7,12,19H2,1-4H3,(H,20,21)
InChIKeyIFPJSKPBOWQHJX-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.58
Rot. Bonds8

About 6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide

6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide (PubChem CID 65291164) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide.

Molecular Properties

Compound Name6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide
PubChem CID65291164
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide
SMILESCC(N)CCCC(C)C(=O)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-13(2)17-10-8-16(9-11-17)12-20-18(21)14(3)6-5-7-15(4)19/h8-11,13-15H,5-7,12,19H2,1-4H3,(H,20,21)
InChIKeyIFPJSKPBOWQHJX-UHFFFAOYSA-N
XLogP3.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-N-[(3-fluoro-4-methylphenyl)methyl]-2-methylheptanamide
CID 65292863
(2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 107569508
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide
CID 65292854
N-[(4-aminophenyl)methyl]-2-methylpentanamide
CID 60891259
2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 112685779
6-amino-2-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide
CID 65291508
5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide
CID 104684743
6-amino-2-methyl-N-propylheptanamide
CID 65292773
N-[(4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194584
6-amino-2-methyl-N-(3-methylbutyl)heptanamide
CID 65293191
2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 115287113

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide?
The IUPAC name of 6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide (CID 65291164) is 6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide.
What is the SMILES notation for 6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide?
The canonical SMILES for 6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide is CC(N)CCCC(C)C(=O)NCc1ccc(C(C)C)cc1.
What is the InChIKey of 6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide?
The InChIKey is IFPJSKPBOWQHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(2)17-10-8-16(9-11-17)12-20-18(21)14(3)6-5-7-15(4)19/h8-11,13-15H,5-7,12,19H2,1-4H3,(H,20,21).
What are the key properties of 6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide?
6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide has a molecular weight of 290.45 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide is sourced from PubChem (CID 65291164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).