N-[(decylcarbamoylamino)methyl]acetamide

C14H29N3O2 — CID 154603535

IUPACN-[(decylcarbamoylamino)methyl]acetamide
SMILESCCCCCCCCCCNC(=O)NCNC(C)=O
InChIInChI=1S/C14H29N3O2/c1-3-4-5-6-7-8-9-10-11-15-14(19)17-12-16-13(2)18/h3-12H2,1-2H3,(H,16,18)(H2,15,17,19)
InChIKeyRVDDGZNDEYLOCS-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.52
Rot. Bonds11

About N-[(decylcarbamoylamino)methyl]acetamide

N-[(decylcarbamoylamino)methyl]acetamide (PubChem CID 154603535) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(decylcarbamoylamino)methyl]acetamide.

Molecular Properties

Compound NameN-[(decylcarbamoylamino)methyl]acetamide
PubChem CID154603535
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-[(decylcarbamoylamino)methyl]acetamide
SMILESCCCCCCCCCCNC(=O)NCNC(C)=O
InChIInChI=1S/C14H29N3O2/c1-3-4-5-6-7-8-9-10-11-15-14(19)17-12-16-13(2)18/h3-12H2,1-2H3,(H,16,18)(H2,15,17,19)
InChIKeyRVDDGZNDEYLOCS-UHFFFAOYSA-N
XLogP2.52
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(decylcarbamoylamino)methyl]acetamide?
The IUPAC name of N-[(decylcarbamoylamino)methyl]acetamide (CID 154603535) is N-[(decylcarbamoylamino)methyl]acetamide.
What is the SMILES notation for N-[(decylcarbamoylamino)methyl]acetamide?
The canonical SMILES for N-[(decylcarbamoylamino)methyl]acetamide is CCCCCCCCCCNC(=O)NCNC(C)=O.
What is the InChIKey of N-[(decylcarbamoylamino)methyl]acetamide?
The InChIKey is RVDDGZNDEYLOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-3-4-5-6-7-8-9-10-11-15-14(19)17-12-16-13(2)18/h3-12H2,1-2H3,(H,16,18)(H2,15,17,19).
What are the key properties of N-[(decylcarbamoylamino)methyl]acetamide?
N-[(decylcarbamoylamino)methyl]acetamide has a molecular weight of 271.40 g/mol, XLogP of 2.52, 11 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(decylcarbamoylamino)methyl]acetamide is sourced from PubChem (CID 154603535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).