2-amino-N-[1-(diethylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]-4-methylpentanamide

C26H39N3O2 — CID 70124186

IUPAC2-amino-N-[1-(diethylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]-4-methylpentanamide
SMILESCCN(CC)CC(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(N)CC(C)C
InChIInChI=1S/C26H39N3O2/c1-5-29(6-2)18-23(28-26(30)25(27)16-20(3)4)17-21-12-14-24(15-13-21)31-19-22-10-8-7-9-11-22/h7-15,20,23,25H,5-6,16-19,27H2,1-4H3,(H,28,30)
InChIKeyDXAUQHHZTZWLBB-UHFFFAOYSA-N
MW425.62 g/mol
LogP4.01
Rot. Bonds13

About 2-amino-N-[1-(diethylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]-4-methylpentanamide

2-amino-N-[1-(diethylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]-4-methylpentanamide (PubChem CID 70124186) has the molecular formula C26H39N3O2 and a molecular weight of 425.62 g/mol. Its IUPAC name is 2-amino-N-[1-(diethylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(diethylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]-4-methylpentanamide
PubChem CID70124186
Molecular FormulaC26H39N3O2
Molecular Weight425.62 g/mol
Exact Mass425.30
IUPAC Name2-amino-N-[1-(diethylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]-4-methylpentanamide
SMILESCCN(CC)CC(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(N)CC(C)C
InChIInChI=1S/C26H39N3O2/c1-5-29(6-2)18-23(28-26(30)25(27)16-20(3)4)17-21-12-14-24(15-13-21)31-19-22-10-8-7-9-11-22/h7-15,20,23,25H,5-6,16-19,27H2,1-4H3,(H,28,30)
InChIKeyDXAUQHHZTZWLBB-UHFFFAOYSA-N
XLogP4.01
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.62
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 67578288
tert-butyl (2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 57152503
tert-butyl N-[1-[ethyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propyl]amino]-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 66639728
(2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride
CID 119712185
2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-piperidin-1-ylpropan-2-yl]pentanamide
CID 70059723
1,3-thiazol-5-ylmethyl N-[1-[ethyl-[(2R)-3-(4-phenylmethoxyphenyl)-2-(1,3-thiazol-5-ylmethoxycarbonylamino)propyl]amino]-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 66639790
2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]pentanamide
CID 70058887
benzyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoate
CID 16742166
2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride
CID 119860539
benzyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoate;hydrochloride
CID 16742165
2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]pentanamide
CID 70060885
benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate
CID 150888209

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(diethylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]-4-methylpentanamide?
The IUPAC name of 2-amino-N-[1-(diethylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]-4-methylpentanamide (CID 70124186) is 2-amino-N-[1-(diethylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-(diethylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-(diethylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]-4-methylpentanamide is CCN(CC)CC(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(N)CC(C)C.
What is the InChIKey of 2-amino-N-[1-(diethylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]-4-methylpentanamide?
The InChIKey is DXAUQHHZTZWLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O2/c1-5-29(6-2)18-23(28-26(30)25(27)16-20(3)4)17-21-12-14-24(15-13-21)31-19-22-10-8-7-9-11-22/h7-15,20,23,25H,5-6,16-19,27H2,1-4H3,(H,28,30).
What are the key properties of 2-amino-N-[1-(diethylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]-4-methylpentanamide?
2-amino-N-[1-(diethylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]-4-methylpentanamide has a molecular weight of 425.62 g/mol, XLogP of 4.01, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(diethylamino)-3-(4-phenylmethoxyphenyl)propan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 70124186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).