N-[2-[(N-heptan-3-yl-C-methylcarbonimidoyl)-methylamino]ethyl]acetamide

C14H29N3O — CID 90768662

IUPACN-[2-[(N-heptan-3-yl-C-methylcarbonimidoyl)-methylamino]ethyl]acetamide
SMILESCCCCC(CC)/N=C(\C)N(C)CCNC(C)=O
InChIInChI=1S/C14H29N3O/c1-6-8-9-14(7-2)16-12(3)17(5)11-10-15-13(4)18/h14H,6-11H2,1-5H3,(H,15,18)/b16-12+
InChIKeyNFNXVDKJZFDNFK-FOWTUZBSSA-N
MW255.41 g/mol
LogP2.44
Rot. Bonds8

About N-[2-[(N-heptan-3-yl-C-methylcarbonimidoyl)-methylamino]ethyl]acetamide

N-[2-[(N-heptan-3-yl-C-methylcarbonimidoyl)-methylamino]ethyl]acetamide (PubChem CID 90768662) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[2-[(N-heptan-3-yl-C-methylcarbonimidoyl)-methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(N-heptan-3-yl-C-methylcarbonimidoyl)-methylamino]ethyl]acetamide
PubChem CID90768662
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-[2-[(N-heptan-3-yl-C-methylcarbonimidoyl)-methylamino]ethyl]acetamide
SMILESCCCCC(CC)/N=C(\C)N(C)CCNC(C)=O
InChIInChI=1S/C14H29N3O/c1-6-8-9-14(7-2)16-12(3)17(5)11-10-15-13(4)18/h14H,6-11H2,1-5H3,(H,15,18)/b16-12+
InChIKeyNFNXVDKJZFDNFK-FOWTUZBSSA-N
XLogP2.44
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(N-heptan-3-yl-C-methylcarbonimidoyl)-methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(N-heptan-3-yl-C-methylcarbonimidoyl)-methylamino]ethyl]acetamide (CID 90768662) is N-[2-[(N-heptan-3-yl-C-methylcarbonimidoyl)-methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(N-heptan-3-yl-C-methylcarbonimidoyl)-methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(N-heptan-3-yl-C-methylcarbonimidoyl)-methylamino]ethyl]acetamide is CCCCC(CC)/N=C(\C)N(C)CCNC(C)=O.
What is the InChIKey of N-[2-[(N-heptan-3-yl-C-methylcarbonimidoyl)-methylamino]ethyl]acetamide?
The InChIKey is NFNXVDKJZFDNFK-FOWTUZBSSA-N. The full InChI is InChI=1S/C14H29N3O/c1-6-8-9-14(7-2)16-12(3)17(5)11-10-15-13(4)18/h14H,6-11H2,1-5H3,(H,15,18)/b16-12+.
What are the key properties of N-[2-[(N-heptan-3-yl-C-methylcarbonimidoyl)-methylamino]ethyl]acetamide?
N-[2-[(N-heptan-3-yl-C-methylcarbonimidoyl)-methylamino]ethyl]acetamide has a molecular weight of 255.41 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(N-heptan-3-yl-C-methylcarbonimidoyl)-methylamino]ethyl]acetamide is sourced from PubChem (CID 90768662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).