N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(carbamoylamino)hexanamide;hydrochloride

C18H31ClN4O2 — CID 119525720

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(carbamoylamino)hexanamide;hydrochloride
SMILESCCCCC(NC(N)=O)C(=O)NCC(N)c1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C18H30N4O2.ClH/c1-4-5-6-16(22-18(20)24)17(23)21-11-15(19)14-9-7-13(8-10-14)12(2)3;/h7-10,12,15-16H,4-6,11,19H2,1-3H3,(H,21,23)(H3,20,22,24);1H
InChIKeyRFJCBHWMBXOSIX-UHFFFAOYSA-N
MW370.93 g/mol
LogP2.57
Rot. Bonds9

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(carbamoylamino)hexanamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(carbamoylamino)hexanamide;hydrochloride (PubChem CID 119525720) has the molecular formula C18H31ClN4O2 and a molecular weight of 370.93 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(carbamoylamino)hexanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(carbamoylamino)hexanamide;hydrochloride
PubChem CID119525720
Molecular FormulaC18H31ClN4O2
Molecular Weight370.93 g/mol
Exact Mass370.21
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(carbamoylamino)hexanamide;hydrochloride
SMILESCCCCC(NC(N)=O)C(=O)NCC(N)c1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C18H30N4O2.ClH/c1-4-5-6-16(22-18(20)24)17(23)21-11-15(19)14-9-7-13(8-10-14)12(2)3;/h7-10,12,15-16H,4-6,11,19H2,1-3H3,(H,21,23)(H3,20,22,24);1H
InChIKeyRFJCBHWMBXOSIX-UHFFFAOYSA-N
XLogP2.57
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.93
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide
CID 119525765
2-(carbamoylamino)-N-[2-hydroxy-3-[(3-hydroxy-2-phenylpropanoyl)amino]propyl]hexanamide
CID 167750165
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-butoxyacetamide
CID 119525929
N-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride
CID 120508848
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-ethoxy-2-phenylacetamide;hydrochloride
CID 119525446
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide
CID 119526547
7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide
CID 122080402
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(methanesulfonamido)propanamide
CID 119526633
(2S)-2-[2-(carbamoylamino)hexanoylamino]propanoic acid
CID 119942919
4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide;hydrochloride
CID 119526404
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119525416

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(carbamoylamino)hexanamide;hydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(carbamoylamino)hexanamide;hydrochloride (CID 119525720) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(carbamoylamino)hexanamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(carbamoylamino)hexanamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(carbamoylamino)hexanamide;hydrochloride is CCCCC(NC(N)=O)C(=O)NCC(N)c1ccc(C(C)C)cc1.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(carbamoylamino)hexanamide;hydrochloride?
The InChIKey is RFJCBHWMBXOSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2.ClH/c1-4-5-6-16(22-18(20)24)17(23)21-11-15(19)14-9-7-13(8-10-14)12(2)3;/h7-10,12,15-16H,4-6,11,19H2,1-3H3,(H,21,23)(H3,20,22,24);1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(carbamoylamino)hexanamide;hydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(carbamoylamino)hexanamide;hydrochloride has a molecular weight of 370.93 g/mol, XLogP of 2.57, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(carbamoylamino)hexanamide;hydrochloride is sourced from PubChem (CID 119525720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).