3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide

C21H26N2O — CID 119787279

IUPAC3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
SMILESCC(C(=O)N(C)C1CCc2ccccc2C1)C(N)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-15(20(22)17-9-4-3-5-10-17)21(24)23(2)19-13-12-16-8-6-7-11-18(16)14-19/h3-11,15,19-20H,12-14,22H2,1-2H3
InChIKeyDUBHISUKZPZCJB-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.34
Rot. Bonds4

About 3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide

3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide (PubChem CID 119787279) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
PubChem CID119787279
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
SMILESCC(C(=O)N(C)C1CCc2ccccc2C1)C(N)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-15(20(22)17-9-4-3-5-10-17)21(24)23(2)19-13-12-16-8-6-7-11-18(16)14-19/h3-11,15,19-20H,12-14,22H2,1-2H3
InChIKeyDUBHISUKZPZCJB-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 80548256
2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide
CID 119325725
(2R,3S)-3-amino-N-(4-methoxycyclohexyl)-N,2-dimethyl-3-phenylpropanamide
CID 124741664
3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide
CID 122080526
2-[[(2S)-2-aminopropanoyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 54473061
3-amino-N-(1,2-dimethylpiperidin-4-yl)-N,2-dimethyl-3-phenylpropanamide;dihydrochloride
CID 119893685
1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 127321753
4-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673677
3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119737873
(2S)-2-amino-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 124591510
2-hydroxy-N-methyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 97061003
2-hydroxy-N-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 97061002

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide?
The IUPAC name of 3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide (CID 119787279) is 3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide?
The canonical SMILES for 3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide is CC(C(=O)N(C)C1CCc2ccccc2C1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide?
The InChIKey is DUBHISUKZPZCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15(20(22)17-9-4-3-5-10-17)21(24)23(2)19-13-12-16-8-6-7-11-18(16)14-19/h3-11,15,19-20H,12-14,22H2,1-2H3.
What are the key properties of 3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide?
3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide has a molecular weight of 322.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide is sourced from PubChem (CID 119787279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).