[3-cyclohexyl-1-[[1-(dimethylcarbamoylamino)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid

C16H28N4O5 — CID 166748544

IUPAC[3-cyclohexyl-1-[[1-(dimethylcarbamoylamino)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
SMILESCN(C)C(=O)NCC(C=O)NC(=O)C(CC1CCCCC1)NC(=O)O
InChIInChI=1S/C16H28N4O5/c1-20(2)15(23)17-9-12(10-21)18-14(22)13(19-16(24)25)8-11-6-4-3-5-7-11/h10-13,19H,3-9H2,1-2H3,(H,17,23)(H,18,22)(H,24,25)
InChIKeyBFAKWGGIADNWRB-UHFFFAOYSA-N
MW356.42 g/mol
LogP0.55
Rot. Bonds8

About [3-cyclohexyl-1-[[1-(dimethylcarbamoylamino)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid

[3-cyclohexyl-1-[[1-(dimethylcarbamoylamino)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid (PubChem CID 166748544) has the molecular formula C16H28N4O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is [3-cyclohexyl-1-[[1-(dimethylcarbamoylamino)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[3-cyclohexyl-1-[[1-(dimethylcarbamoylamino)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
PubChem CID166748544
Molecular FormulaC16H28N4O5
Molecular Weight356.42 g/mol
Exact Mass356.21
IUPAC Name[3-cyclohexyl-1-[[1-(dimethylcarbamoylamino)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
SMILESCN(C)C(=O)NCC(C=O)NC(=O)C(CC1CCCCC1)NC(=O)O
InChIInChI=1S/C16H28N4O5/c1-20(2)15(23)17-9-12(10-21)18-14(22)13(19-16(24)25)8-11-6-4-3-5-7-11/h10-13,19H,3-9H2,1-2H3,(H,17,23)(H,18,22)(H,24,25)
InChIKeyBFAKWGGIADNWRB-UHFFFAOYSA-N
XLogP0.55
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-3-cyclohexyl-1-[[(2S)-5-[2-ethoxyethyl(methyl)amino]-1-hydroxy-5-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
CID 166748481
3-[2-(cycloheptylmethylamino)ethyl]-1,1-dimethylurea
CID 83116093
[(2S)-3-cyclohexyl-1-[[(2S)-1,5-dioxo-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
CID 166748505
3-cyclopentyl-N-[(2S)-2-(dimethylamino)propyl]-2-methylpropanamide
CID 122152789
[1-[4,4-bis(4-fluorophenyl)butylamino]-3-cyclohexyl-1-oxopropan-2-yl]carbamic acid
CID 18418754
ethyl N-[(2S)-1-cyclohexyl-3-oxopropan-2-yl]carbamate
CID 131720506
[(2R)-2-[tert-butylcarbamoyl(methyl)amino]-3-cyclohexylpropyl]carbamic acid
CID 69468804
(3S)-4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-(methylamino)-4-oxobutanoic acid
CID 59936843
3-[2-(2-cyclohexylethylamino)ethyl]-1,1-dimethylurea
CID 83116550
(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
CID 103791111
(3S)-3-amino-4-[[(1S)-1-carboxy-2-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 22822514
[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid
CID 70045269

Frequently Asked Questions

What is the IUPAC name of [3-cyclohexyl-1-[[1-(dimethylcarbamoylamino)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [3-cyclohexyl-1-[[1-(dimethylcarbamoylamino)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid (CID 166748544) is [3-cyclohexyl-1-[[1-(dimethylcarbamoylamino)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [3-cyclohexyl-1-[[1-(dimethylcarbamoylamino)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [3-cyclohexyl-1-[[1-(dimethylcarbamoylamino)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid is CN(C)C(=O)NCC(C=O)NC(=O)C(CC1CCCCC1)NC(=O)O.
What is the InChIKey of [3-cyclohexyl-1-[[1-(dimethylcarbamoylamino)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?
The InChIKey is BFAKWGGIADNWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O5/c1-20(2)15(23)17-9-12(10-21)18-14(22)13(19-16(24)25)8-11-6-4-3-5-7-11/h10-13,19H,3-9H2,1-2H3,(H,17,23)(H,18,22)(H,24,25).
What are the key properties of [3-cyclohexyl-1-[[1-(dimethylcarbamoylamino)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?
[3-cyclohexyl-1-[[1-(dimethylcarbamoylamino)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 356.42 g/mol, XLogP of 0.55, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclohexyl-1-[[1-(dimethylcarbamoylamino)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 166748544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).