N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-pentoxybenzamide

C21H35N3O3 — CID 11559884

IUPACN-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)N[C@@H](CCC)C(=O)NCCN(C)C)cc1
InChIInChI=1S/C21H35N3O3/c1-5-7-8-16-27-18-12-10-17(11-13-18)20(25)23-19(9-6-2)21(26)22-14-15-24(3)4/h10-13,19H,5-9,14-16H2,1-4H3,(H,22,26)(H,23,25)/t19-/m0/s1
InChIKeyVXEXACYTNHFTDW-IBGZPJMESA-N
MW377.53 g/mol
LogP2.83
Rot. Bonds13

About N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-pentoxybenzamide

N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-pentoxybenzamide (PubChem CID 11559884) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-pentoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-pentoxybenzamide
PubChem CID11559884
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC NameN-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)N[C@@H](CCC)C(=O)NCCN(C)C)cc1
InChIInChI=1S/C21H35N3O3/c1-5-7-8-16-27-18-12-10-17(11-13-18)20(25)23-19(9-6-2)21(26)22-14-15-24(3)4/h10-13,19H,5-9,14-16H2,1-4H3,(H,22,26)(H,23,25)/t19-/m0/s1
InChIKeyVXEXACYTNHFTDW-IBGZPJMESA-N
XLogP2.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide
CID 11574190
methyl (2S)-2-[(4-hexoxybenzoyl)amino]pentanoate
CID 67361411
(2S)-2-[(4-butoxybenzoyl)amino]pentanoic acid
CID 107564279
4-hexoxy-N-[(2S)-1-(hydroxyamino)-5-methylsulfanyl-1-oxopentan-2-yl]benzamide
CID 134179062
4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982
4-butoxy-N-hexadecylbenzamide
CID 4936106
4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide
CID 98156453
4-heptoxy-N-(2-hydroxypropyl)benzamide
CID 3390549
4-[[2-[(4-butoxybenzoyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 3075205
4-pentoxybenzohydrazide
CID 2727702
4-[2-(dimethylamino)ethoxy]-N-ethylbenzamide
CID 110465146
N-[2-(dimethylamino)ethyl]-4-[6-[2-(4-pentoxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
CID 138649511

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-pentoxybenzamide?
The IUPAC name of N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-pentoxybenzamide (CID 11559884) is N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-pentoxybenzamide.
What is the SMILES notation for N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-pentoxybenzamide?
The canonical SMILES for N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)N[C@@H](CCC)C(=O)NCCN(C)C)cc1.
What is the InChIKey of N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-pentoxybenzamide?
The InChIKey is VXEXACYTNHFTDW-IBGZPJMESA-N. The full InChI is InChI=1S/C21H35N3O3/c1-5-7-8-16-27-18-12-10-17(11-13-18)20(25)23-19(9-6-2)21(26)22-14-15-24(3)4/h10-13,19H,5-9,14-16H2,1-4H3,(H,22,26)(H,23,25)/t19-/m0/s1.
What are the key properties of N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-pentoxybenzamide?
N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-pentoxybenzamide has a molecular weight of 377.53 g/mol, XLogP of 2.83, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-pentoxybenzamide is sourced from PubChem (CID 11559884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).