5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide

C20H27N3O — CID 100655207

IUPAC5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(N)ccc1N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C20H27N3O/c1-14(2)22-20(24)18-13-17(21)11-12-19(18)23-15(3)9-10-16-7-5-4-6-8-16/h4-8,11-15,23H,9-10,21H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyQAZHPTQYBVRBAR-HNNXBMFYSA-N
MW325.46 g/mol
LogP3.84
Rot. Bonds7

About 5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide

5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide (PubChem CID 100655207) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide
PubChem CID100655207
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(N)ccc1N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C20H27N3O/c1-14(2)22-20(24)18-13-17(21)11-12-19(18)23-15(3)9-10-16-7-5-4-6-8-16/h4-8,11-15,23H,9-10,21H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyQAZHPTQYBVRBAR-HNNXBMFYSA-N
XLogP3.84
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide
CID 100655116
5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide
CID 100639026
5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide
CID 100638369
5-fluoro-2-(4-phenylbutan-2-ylamino)benzoic acid
CID 63673336
methyl 5-amino-2-(4-methoxybutan-2-ylamino)benzoate
CID 64603091
ethyl 3-amino-4-(4-phenylbutan-2-ylamino)benzoate
CID 133240212
5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide
CID 100654208
3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide
CID 100636946
3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide
CID 133167178
5-amino-2-(hexan-2-ylamino)benzoic acid
CID 62200465
5-amino-2-(butan-2-ylamino)benzoic acid
CID 60988794
3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide
CID 133167175

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide (CID 100655207) is 5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(N)ccc1N[C@@H](C)CCc1ccccc1.
What is the InChIKey of 5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide?
The InChIKey is QAZHPTQYBVRBAR-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-14(2)22-20(24)18-13-17(21)11-12-19(18)23-15(3)9-10-16-7-5-4-6-8-16/h4-8,11-15,23H,9-10,21H2,1-3H3,(H,22,24)/t15-/m0/s1.
What are the key properties of 5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide?
5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide has a molecular weight of 325.46 g/mol, XLogP of 3.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 100655207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).