2-amino-N-(3-ethynylphenyl)-2-methylpentanamide

C14H18N2O — CID 60847163

IUPAC2-amino-N-(3-ethynylphenyl)-2-methylpentanamide
SMILESC#Cc1cccc(NC(=O)C(C)(N)CCC)c1
InChIInChI=1S/C14H18N2O/c1-4-9-14(3,15)13(17)16-12-8-6-7-11(5-2)10-12/h2,6-8,10H,4,9,15H2,1,3H3,(H,16,17)
InChIKeyBKFBFHFUWJSKEI-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.12
Rot. Bonds4

About 2-amino-N-(3-ethynylphenyl)-2-methylpentanamide

2-amino-N-(3-ethynylphenyl)-2-methylpentanamide (PubChem CID 60847163) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-amino-N-(3-ethynylphenyl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(3-ethynylphenyl)-2-methylpentanamide
PubChem CID60847163
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-amino-N-(3-ethynylphenyl)-2-methylpentanamide
SMILESC#Cc1cccc(NC(=O)C(C)(N)CCC)c1
InChIInChI=1S/C14H18N2O/c1-4-9-14(3,15)13(17)16-12-8-6-7-11(5-2)10-12/h2,6-8,10H,4,9,15H2,1,3H3,(H,16,17)
InChIKeyBKFBFHFUWJSKEI-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
2-amino-N-(3-cyanophenyl)-2-methylbutanamide
CID 79796861
N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]cyclohexanecarboxamide
CID 119814665
N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119701089
3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
CID 60848408
tert-butyl 2,2-dichloro-3-(3-ethynylanilino)-3-oxopropanoate
CID 87800312
2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide
CID 119770554
2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide
CID 119784272
2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
CID 106911983
2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide
CID 119789921
2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide
CID 119753505
N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 119776002

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethynylphenyl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(3-ethynylphenyl)-2-methylpentanamide (CID 60847163) is 2-amino-N-(3-ethynylphenyl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(3-ethynylphenyl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(3-ethynylphenyl)-2-methylpentanamide is C#Cc1cccc(NC(=O)C(C)(N)CCC)c1.
What is the InChIKey of 2-amino-N-(3-ethynylphenyl)-2-methylpentanamide?
The InChIKey is BKFBFHFUWJSKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-9-14(3,15)13(17)16-12-8-6-7-11(5-2)10-12/h2,6-8,10H,4,9,15H2,1,3H3,(H,16,17).
What are the key properties of 2-amino-N-(3-ethynylphenyl)-2-methylpentanamide?
2-amino-N-(3-ethynylphenyl)-2-methylpentanamide has a molecular weight of 230.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethynylphenyl)-2-methylpentanamide is sourced from PubChem (CID 60847163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).