N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride

C16H27ClN4O2 — CID 120650380

IUPACN-[(2R)-2-(ethylamino)propyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C(C)(C)NC(=O)Nc1ccccc1.Cl
InChIInChI=1S/C16H26N4O2.ClH/c1-5-17-12(2)11-18-14(21)16(3,4)20-15(22)19-13-9-7-6-8-10-13;/h6-10,12,17H,5,11H2,1-4H3,(H,18,21)(H2,19,20,22);1H/t12-;/m1./s1
InChIKeyMLQGKEHWPKBYTG-UTONKHPSSA-N
MW342.87 g/mol
LogP2.12
Rot. Bonds7

About N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride (PubChem CID 120650380) has the molecular formula C16H27ClN4O2 and a molecular weight of 342.87 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride
PubChem CID120650380
Molecular FormulaC16H27ClN4O2
Molecular Weight342.87 g/mol
Exact Mass342.18
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C(C)(C)NC(=O)Nc1ccccc1.Cl
InChIInChI=1S/C16H26N4O2.ClH/c1-5-17-12(2)11-18-14(21)16(3,4)20-15(22)19-13-9-7-6-8-10-13;/h6-10,12,17H,5,11H2,1-4H3,(H,18,21)(H2,19,20,22);1H/t12-;/m1./s1
InChIKeyMLQGKEHWPKBYTG-UTONKHPSSA-N
XLogP2.12
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-(phenylcarbamoylamino)propanamide
CID 120650381
N-[2-(ethylamino)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 119509598
N-(2-amino-2-phenylethyl)-2-methyl-2-(phenylcarbamoylamino)propanamide
CID 119529696
N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-phenylpropanamide;hydrochloride
CID 120653206
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide
CID 119527331
N-[(2R)-2-(ethylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120653498
N-[(2R)-2-(ethylamino)propyl]-2,2-dimethylbutanamide
CID 120653493
N-[(2R)-2-(ethylamino)propyl]-3,3-diphenylpropanamide;hydrochloride
CID 120652570
2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride
CID 120651072
2-methyl-2-(phenylcarbamoylamino)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514832
2-(ethylamino)-2-methyl-N-(2-phenylpropyl)propanamide
CID 62834242
1-(2-chloropropyl)-3-phenylurea
CID 70181020

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride (CID 120650380) is N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride is CCN[C@H](C)CNC(=O)C(C)(C)NC(=O)Nc1ccccc1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride?
The InChIKey is MLQGKEHWPKBYTG-UTONKHPSSA-N. The full InChI is InChI=1S/C16H26N4O2.ClH/c1-5-17-12(2)11-18-14(21)16(3,4)20-15(22)19-13-9-7-6-8-10-13;/h6-10,12,17H,5,11H2,1-4H3,(H,18,21)(H2,19,20,22);1H/t12-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.12, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride is sourced from PubChem (CID 120650380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).