N-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide

C16H27N3O — CID 120505281

IUPACN-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide
SMILESCCCCN(CC)c1ccc(C(=O)N[C@@H](C)CN)cc1
InChIInChI=1S/C16H27N3O/c1-4-6-11-19(5-2)15-9-7-14(8-10-15)16(20)18-13(3)12-17/h7-10,13H,4-6,11-12,17H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeySUIYYSZAJWWOED-ZDUSSCGKSA-N
MW277.41 g/mol
LogP2.39
Rot. Bonds8

About N-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide

N-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide (PubChem CID 120505281) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide
PubChem CID120505281
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide
SMILESCCCCN(CC)c1ccc(C(=O)N[C@@H](C)CN)cc1
InChIInChI=1S/C16H27N3O/c1-4-6-11-19(5-2)15-9-7-14(8-10-15)16(20)18-13(3)12-17/h7-10,13H,4-6,11-12,17H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeySUIYYSZAJWWOED-ZDUSSCGKSA-N
XLogP2.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide
CID 104877065
N-(3-aminobutyl)-4-[butyl(ethyl)amino]benzamide
CID 119495764
4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 79031417
N-(3-amino-2-methylpropyl)-4-[ethyl(propyl)amino]benzamide
CID 119996678
N-(2-amino-1-cyclopropylethyl)-4-[ethyl(propyl)amino]benzamide
CID 119613110
bis[4-[decyl(ethyl)amino]phenyl]methanone
CID 150764383
4-[ethyl(propyl)amino]-N-[2-(methylamino)propyl]benzamide
CID 120829950
N-[(2S)-1-aminopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 120506253
4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65312704
4-(aminomethyl)-N-heptan-2-ylbenzamide
CID 43575776
N-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
CID 170647545
N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide (CID 120505281) is N-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide is CCCCN(CC)c1ccc(C(=O)N[C@@H](C)CN)cc1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide?
The InChIKey is SUIYYSZAJWWOED-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-6-11-19(5-2)15-9-7-14(8-10-15)16(20)18-13(3)12-17/h7-10,13H,4-6,11-12,17H2,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide?
N-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide has a molecular weight of 277.41 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide is sourced from PubChem (CID 120505281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).