N-pentyl-N-propan-2-yl-2-(propylamino)benzamide

C18H30N2O — CID 62174124

IUPACN-pentyl-N-propan-2-yl-2-(propylamino)benzamide
SMILESCCCCCN(C(=O)c1ccccc1NCCC)C(C)C
InChIInChI=1S/C18H30N2O/c1-5-7-10-14-20(15(3)4)18(21)16-11-8-9-12-17(16)19-13-6-2/h8-9,11-12,15,19H,5-7,10,13-14H2,1-4H3
InChIKeyMZSUJMKRCBSOHY-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.55
Rot. Bonds9

About N-pentyl-N-propan-2-yl-2-(propylamino)benzamide

N-pentyl-N-propan-2-yl-2-(propylamino)benzamide (PubChem CID 62174124) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-pentyl-N-propan-2-yl-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-pentyl-N-propan-2-yl-2-(propylamino)benzamide
PubChem CID62174124
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-pentyl-N-propan-2-yl-2-(propylamino)benzamide
SMILESCCCCCN(C(=O)c1ccccc1NCCC)C(C)C
InChIInChI=1S/C18H30N2O/c1-5-7-10-14-20(15(3)4)18(21)16-11-8-9-12-17(16)19-13-6-2/h8-9,11-12,15,19H,5-7,10,13-14H2,1-4H3
InChIKeyMZSUJMKRCBSOHY-UHFFFAOYSA-N
XLogP4.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-N-propan-2-yl-2-(propylamino)benzamide
CID 62176891
N-propan-2-yl-N-prop-2-enyl-2-(propylamino)benzamide
CID 63108031
methyl 2-[propan-2-yl-[2-(propylamino)benzoyl]amino]acetate
CID 63108124
N-methyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62166178
2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 62174306
N,N-diethyl-2-(propylamino)benzamide
CID 62171276
N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide
CID 55061041
N-butyl-N-cyclopropyl-2-(propylamino)benzamide
CID 62179116
2-hydrazinyl-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 62247512
N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide
CID 62177403
2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 107982464
2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide
CID 115540290

Frequently Asked Questions

What is the IUPAC name of N-pentyl-N-propan-2-yl-2-(propylamino)benzamide?
The IUPAC name of N-pentyl-N-propan-2-yl-2-(propylamino)benzamide (CID 62174124) is N-pentyl-N-propan-2-yl-2-(propylamino)benzamide.
What is the SMILES notation for N-pentyl-N-propan-2-yl-2-(propylamino)benzamide?
The canonical SMILES for N-pentyl-N-propan-2-yl-2-(propylamino)benzamide is CCCCCN(C(=O)c1ccccc1NCCC)C(C)C.
What is the InChIKey of N-pentyl-N-propan-2-yl-2-(propylamino)benzamide?
The InChIKey is MZSUJMKRCBSOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-7-10-14-20(15(3)4)18(21)16-11-8-9-12-17(16)19-13-6-2/h8-9,11-12,15,19H,5-7,10,13-14H2,1-4H3.
What are the key properties of N-pentyl-N-propan-2-yl-2-(propylamino)benzamide?
N-pentyl-N-propan-2-yl-2-(propylamino)benzamide has a molecular weight of 290.45 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-N-propan-2-yl-2-(propylamino)benzamide is sourced from PubChem (CID 62174124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).