N-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide

C14H27N5O3 — CID 59418797

IUPACN-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide
SMILESCCNC(=O)NC1CCC(NC(=O)NCCNC(C)=O)CC1
InChIInChI=1S/C14H27N5O3/c1-3-15-13(21)18-11-4-6-12(7-5-11)19-14(22)17-9-8-16-10(2)20/h11-12H,3-9H2,1-2H3,(H,16,20)(H2,15,18,21)(H2,17,19,22)
InChIKeyPQCDPEYAXPNRAX-UHFFFAOYSA-N
MW313.40 g/mol
LogP0.05
Rot. Bonds6

About N-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide

N-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide (PubChem CID 59418797) has the molecular formula C14H27N5O3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide
PubChem CID59418797
Molecular FormulaC14H27N5O3
Molecular Weight313.40 g/mol
Exact Mass313.21
IUPAC NameN-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide
SMILESCCNC(=O)NC1CCC(NC(=O)NCCNC(C)=O)CC1
InChIInChI=1S/C14H27N5O3/c1-3-15-13(21)18-11-4-6-12(7-5-11)19-14(22)17-9-8-16-10(2)20/h11-12H,3-9H2,1-2H3,(H,16,20)(H2,15,18,21)(H2,17,19,22)
InChIKeyPQCDPEYAXPNRAX-UHFFFAOYSA-N
XLogP0.05
TPSA111.36 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-ethylurea;ethane
CID 145358709
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237
1-cyclohexyl-3-[2-(ethylamino)ethyl]urea
CID 62663846
1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea
CID 115635300
1-hexyl-3-[4-(octylcarbamoylamino)cyclohexyl]urea
CID 10200800
1-cyclopentyl-3-propylurea
CID 14343339
1-(3-aminocyclobutyl)-3-ethylurea
CID 43596703
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
[4-(ethylcarbamoylamino)cyclohexyl] (Z)-2-methylbut-2-enoate
CID 97416620
1-cyclopropyl-3-(3,3-dimethylbutyl)urea
CID 115580158
1-butyl-3-(4-ethylcyclohexyl)urea
CID 78894754
1-(4-methylcycloheptyl)-3-propylurea
CID 102795126

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide (CID 59418797) is N-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide is CCNC(=O)NC1CCC(NC(=O)NCCNC(C)=O)CC1.
What is the InChIKey of N-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide?
The InChIKey is PQCDPEYAXPNRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O3/c1-3-15-13(21)18-11-4-6-12(7-5-11)19-14(22)17-9-8-16-10(2)20/h11-12H,3-9H2,1-2H3,(H,16,20)(H2,15,18,21)(H2,17,19,22).
What are the key properties of N-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide?
N-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 0.05, 6 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 59418797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).