N-pentyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide

C18H28N2O — CID 60719609

IUPACN-pentyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide
SMILESCCCCCNC(=O)C(C)NC1CCc2ccccc2C1
InChIInChI=1S/C18H28N2O/c1-3-4-7-12-19-18(21)14(2)20-17-11-10-15-8-5-6-9-16(15)13-17/h5-6,8-9,14,17,20H,3-4,7,10-13H2,1-2H3,(H,19,21)
InChIKeyLZANORNPRJNEPI-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.83
Rot. Bonds7

About N-pentyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide

N-pentyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide (PubChem CID 60719609) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-pentyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide.

Molecular Properties

Compound NameN-pentyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide
PubChem CID60719609
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-pentyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide
SMILESCCCCCNC(=O)C(C)NC1CCc2ccccc2C1
InChIInChI=1S/C18H28N2O/c1-3-4-7-12-19-18(21)14(2)20-17-11-10-15-8-5-6-9-16(15)13-17/h5-6,8-9,14,17,20H,3-4,7,10-13H2,1-2H3,(H,19,21)
InChIKeyLZANORNPRJNEPI-UHFFFAOYSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide
CID 60719611
N-decyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60669476
N,N-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide
CID 43226352
2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide
CID 62305097
4-hexoxy-N-[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-yl]benzamide
CID 58965361
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 79202769
(2S)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butan-1-ol
CID 93026650
(2R)-2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide;hydrochloride
CID 119270502
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
(2S)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)butan-1-ol;hydrochloride
CID 91662998
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide?
The IUPAC name of N-pentyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide (CID 60719609) is N-pentyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide.
What is the SMILES notation for N-pentyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide?
The canonical SMILES for N-pentyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide is CCCCCNC(=O)C(C)NC1CCc2ccccc2C1.
What is the InChIKey of N-pentyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide?
The InChIKey is LZANORNPRJNEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-4-7-12-19-18(21)14(2)20-17-11-10-15-8-5-6-9-16(15)13-17/h5-6,8-9,14,17,20H,3-4,7,10-13H2,1-2H3,(H,19,21).
What are the key properties of N-pentyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide?
N-pentyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide has a molecular weight of 288.44 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide is sourced from PubChem (CID 60719609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).