N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride

C22H32ClN3O2 — CID 120653472

IUPACN-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C(NC(=O)Cc1ccc2ccccc2c1)C(C)C.Cl
InChIInChI=1S/C22H31N3O2.ClH/c1-5-23-16(4)14-24-22(27)21(15(2)3)25-20(26)13-17-10-11-18-8-6-7-9-19(18)12-17;/h6-12,15-16,21,23H,5,13-14H2,1-4H3,(H,24,27)(H,25,26);1H/t16-,21?;/m1./s1
InChIKeyHCQLYZAPACLTHX-DHYQBIDMSA-N
MW405.97 g/mol
LogP3.06
Rot. Bonds9

About N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride (PubChem CID 120653472) has the molecular formula C22H32ClN3O2 and a molecular weight of 405.97 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride
PubChem CID120653472
Molecular FormulaC22H32ClN3O2
Molecular Weight405.97 g/mol
Exact Mass405.22
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C(NC(=O)Cc1ccc2ccccc2c1)C(C)C.Cl
InChIInChI=1S/C22H31N3O2.ClH/c1-5-23-16(4)14-24-22(27)21(15(2)3)25-20(26)13-17-10-11-18-8-6-7-9-19(18)12-17;/h6-12,15-16,21,23H,5,13-14H2,1-4H3,(H,24,27)(H,25,26);1H/t16-,21?;/m1./s1
InChIKeyHCQLYZAPACLTHX-DHYQBIDMSA-N
XLogP3.06
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.97
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid
CID 119237542
N-[(2R)-2-(ethylamino)propyl]-2-naphthalen-2-ylpropanamide;hydrochloride
CID 120652768
3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60575785
N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60610137
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide
CID 60575847
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60580471
3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide
CID 120829738
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 51125355
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide
CID 119558247
(2S)-N-[(2R)-2-(ethylamino)propyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride
CID 120652434
(2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 94649304
2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride
CID 120651072

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride (CID 120653472) is N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride is CCN[C@H](C)CNC(=O)C(NC(=O)Cc1ccc2ccccc2c1)C(C)C.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride?
The InChIKey is HCQLYZAPACLTHX-DHYQBIDMSA-N. The full InChI is InChI=1S/C22H31N3O2.ClH/c1-5-23-16(4)14-24-22(27)21(15(2)3)25-20(26)13-17-10-11-18-8-6-7-9-19(18)12-17;/h6-12,15-16,21,23H,5,13-14H2,1-4H3,(H,24,27)(H,25,26);1H/t16-,21?;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride has a molecular weight of 405.97 g/mol, XLogP of 3.06, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride is sourced from PubChem (CID 120653472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).