N-[(2S)-1-aminopropan-2-yl]-4-(cyclohexylcarbamoylamino)butanamide;hydrochloride

C14H29ClN4O2 — CID 120505486

IUPACN-[(2S)-1-aminopropan-2-yl]-4-(cyclohexylcarbamoylamino)butanamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)CCCNC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C14H28N4O2.ClH/c1-11(10-15)17-13(19)8-5-9-16-14(20)18-12-6-3-2-4-7-12;/h11-12H,2-10,15H2,1H3,(H,17,19)(H2,16,18,20);1H/t11-;/m0./s1
InChIKeyQMGXOKKIVZLTPC-MERQFXBCSA-N
MW320.87 g/mol
LogP1.28
Rot. Bonds7

About N-[(2S)-1-aminopropan-2-yl]-4-(cyclohexylcarbamoylamino)butanamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-4-(cyclohexylcarbamoylamino)butanamide;hydrochloride (PubChem CID 120505486) has the molecular formula C14H29ClN4O2 and a molecular weight of 320.87 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-(cyclohexylcarbamoylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-(cyclohexylcarbamoylamino)butanamide;hydrochloride
PubChem CID120505486
Molecular FormulaC14H29ClN4O2
Molecular Weight320.87 g/mol
Exact Mass320.20
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-(cyclohexylcarbamoylamino)butanamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)CCCNC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C14H28N4O2.ClH/c1-11(10-15)17-13(19)8-5-9-16-14(20)18-12-6-3-2-4-7-12;/h11-12H,2-10,15H2,1H3,(H,17,19)(H2,16,18,20);1H/t11-;/m0./s1
InChIKeyQMGXOKKIVZLTPC-MERQFXBCSA-N
XLogP1.28
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.87
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide
CID 134056980
N-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide
CID 119569667
2-[4-(cyclohexylcarbamoylamino)butanoylamino]-2-phenylacetic acid
CID 119113414
1-(3-aminobutyl)-3-cyclohexylurea
CID 63253951
1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664578
4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 16621291
4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide
CID 119425673
(2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119299474
5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid
CID 104682816
4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide
CID 47056235
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
methyl 3-(4-chlorophenyl)-3-[4-(cyclohexylcarbamoylamino)butanoylamino]propanoate
CID 55513615

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-(cyclohexylcarbamoylamino)butanamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-(cyclohexylcarbamoylamino)butanamide;hydrochloride (CID 120505486) is N-[(2S)-1-aminopropan-2-yl]-4-(cyclohexylcarbamoylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-(cyclohexylcarbamoylamino)butanamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-(cyclohexylcarbamoylamino)butanamide;hydrochloride is C[C@@H](CN)NC(=O)CCCNC(=O)NC1CCCCC1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-(cyclohexylcarbamoylamino)butanamide;hydrochloride?
The InChIKey is QMGXOKKIVZLTPC-MERQFXBCSA-N. The full InChI is InChI=1S/C14H28N4O2.ClH/c1-11(10-15)17-13(19)8-5-9-16-14(20)18-12-6-3-2-4-7-12;/h11-12H,2-10,15H2,1H3,(H,17,19)(H2,16,18,20);1H/t11-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-(cyclohexylcarbamoylamino)butanamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-4-(cyclohexylcarbamoylamino)butanamide;hydrochloride has a molecular weight of 320.87 g/mol, XLogP of 1.28, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-4-(cyclohexylcarbamoylamino)butanamide;hydrochloride is sourced from PubChem (CID 120505486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).