2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide

C23H31N3O3 — CID 7230247

IUPAC2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide
SMILESCC[C@H](C(=O)Nc1ccc(N(C)C)c(C(=O)NCCCOC)c1)c1ccccc1
InChIInChI=1S/C23H31N3O3/c1-5-19(17-10-7-6-8-11-17)23(28)25-18-12-13-21(26(2)3)20(16-18)22(27)24-14-9-15-29-4/h6-8,10-13,16,19H,5,9,14-15H2,1-4H3,(H,24,27)(H,25,28)/t19-/m0/s1
InChIKeyKINDWMFEFXCMEB-IBGZPJMESA-N
MW397.52 g/mol
LogP3.65
Rot. Bonds10

About 2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide

2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide (PubChem CID 7230247) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide
PubChem CID7230247
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide
SMILESCC[C@H](C(=O)Nc1ccc(N(C)C)c(C(=O)NCCCOC)c1)c1ccccc1
InChIInChI=1S/C23H31N3O3/c1-5-19(17-10-7-6-8-11-17)23(28)25-18-12-13-21(26(2)3)20(16-18)22(27)24-14-9-15-29-4/h6-8,10-13,16,19H,5,9,14-15H2,1-4H3,(H,24,27)(H,25,28)/t19-/m0/s1
InChIKeyKINDWMFEFXCMEB-IBGZPJMESA-N
XLogP3.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide
CID 42747373
2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide
CID 7356631
N-(3-methoxypropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42757207
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(2-phenylbutanoylamino)benzamide
CID 3948470
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 4002462
2-(dimethylamino)-N-(3-methoxypropyl)-5-(3-phenylprop-2-enoylamino)benzamide
CID 5160037
2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide
CID 3535205
5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide
CID 4551644
5-(cyclopropanecarbonylamino)-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 42747574
N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenylbutanamide
CID 5204789
5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 3667525
2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide
CID 7356424

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide?
The IUPAC name of 2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide (CID 7230247) is 2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide.
What is the SMILES notation for 2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide?
The canonical SMILES for 2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide is CC[C@H](C(=O)Nc1ccc(N(C)C)c(C(=O)NCCCOC)c1)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide?
The InChIKey is KINDWMFEFXCMEB-IBGZPJMESA-N. The full InChI is InChI=1S/C23H31N3O3/c1-5-19(17-10-7-6-8-11-17)23(28)25-18-12-13-21(26(2)3)20(16-18)22(27)24-14-9-15-29-4/h6-8,10-13,16,19H,5,9,14-15H2,1-4H3,(H,24,27)(H,25,28)/t19-/m0/s1.
What are the key properties of 2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide?
2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide has a molecular weight of 397.52 g/mol, XLogP of 3.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide is sourced from PubChem (CID 7230247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).