N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide

C18H27N3O2 — CID 51248619

IUPACN-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide
SMILESCC(Nc1cccc2c1CCCC2)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C18H27N3O2/c1-12(16(22)20-17(23)21-18(2,3)4)19-15-11-7-9-13-8-5-6-10-14(13)15/h7,9,11-12,19H,5-6,8,10H2,1-4H3,(H2,20,21,22,23)
InChIKeyKPGXNYYELHAXSF-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.99
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide

N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide (PubChem CID 51248619) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide
PubChem CID51248619
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide
SMILESCC(Nc1cccc2c1CCCC2)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C18H27N3O2/c1-12(16(22)20-17(23)21-18(2,3)4)19-15-11-7-9-13-8-5-6-10-14(13)15/h7,9,11-12,19H,5-6,8,10H2,1-4H3,(H2,20,21,22,23)
InChIKeyKPGXNYYELHAXSF-UHFFFAOYSA-N
XLogP2.99
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 5016526
N-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide
CID 51242343
N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 26509429
(2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide
CID 35922476
(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 54991255
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butanoic acid
CID 103232448
2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18070040
(2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 61147977
3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)butanoic acid
CID 116536577
2-cyclopropyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetic acid
CID 103232434
N-(tert-butylcarbamoyl)-2-(3,4-dimethylanilino)propanamide
CID 51242354
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43538421

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide (CID 51248619) is N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide is CC(Nc1cccc2c1CCCC2)C(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide?
The InChIKey is KPGXNYYELHAXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12(16(22)20-17(23)21-18(2,3)4)19-15-11-7-9-13-8-5-6-10-14(13)15/h7,9,11-12,19H,5-6,8,10H2,1-4H3,(H2,20,21,22,23).
What are the key properties of N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide?
N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide has a molecular weight of 317.43 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide is sourced from PubChem (CID 51248619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).