3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide

C19H25N3O — CID 100636946

IUPAC3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide
SMILESCCNC(=O)c1ccc(N[C@H](C)CCc2ccccc2)c(N)c1
InChIInChI=1S/C19H25N3O/c1-3-21-19(23)16-11-12-18(17(20)13-16)22-14(2)9-10-15-7-5-4-6-8-15/h4-8,11-14,22H,3,9-10,20H2,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyCGQJRMJNYFLVLD-CQSZACIVSA-N
MW311.43 g/mol
LogP3.45
Rot. Bonds7

About 3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide

3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide (PubChem CID 100636946) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide
PubChem CID100636946
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide
SMILESCCNC(=O)c1ccc(N[C@H](C)CCc2ccccc2)c(N)c1
InChIInChI=1S/C19H25N3O/c1-3-21-19(23)16-11-12-18(17(20)13-16)22-14(2)9-10-15-7-5-4-6-8-15/h4-8,11-14,22H,3,9-10,20H2,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyCGQJRMJNYFLVLD-CQSZACIVSA-N
XLogP3.45
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.45
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

3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide
CID 133167175
3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide
CID 133167178
3-amino-N-ethyl-4-[[(2S)-pentan-2-yl]amino]benzamide
CID 99919199
ethyl 3-amino-4-(4-phenylbutan-2-ylamino)benzoate
CID 133240212
3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide
CID 82991950
3-amino-4-anilino-N-ethylbenzamide
CID 82999542
4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide
CID 63358537
5-amino-N-methyl-2-[[(2R)-4-phenylbutan-2-yl]amino]benzamide
CID 100655116
3-amino-4-[[(1S)-1-phenylethyl]amino]-N-propylbenzamide
CID 100621942
5-amino-2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylbenzamide
CID 100655207
4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide
CID 55189478
3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide
CID 82989916

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide (CID 100636946) is 3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide is CCNC(=O)c1ccc(N[C@H](C)CCc2ccccc2)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide?
The InChIKey is CGQJRMJNYFLVLD-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-21-19(23)16-11-12-18(17(20)13-16)22-14(2)9-10-15-7-5-4-6-8-15/h4-8,11-14,22H,3,9-10,20H2,1-2H3,(H,21,23)/t14-/m1/s1.
What are the key properties of 3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide?
3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide has a molecular weight of 311.43 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide is sourced from PubChem (CID 100636946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).