N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide

C12H23N3O2 — CID 81393673

IUPACN-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NC(N)=O)C1CCCCCC1
InChIInChI=1S/C12H23N3O2/c1-9(10-6-4-2-3-5-7-10)14-8-11(16)15-12(13)17/h9-10,14H,2-8H2,1H3,(H3,13,15,16,17)/t9-/m1/s1
InChIKeyNENCCNMLIYIRLP-SECBINFHSA-N
MW241.33 g/mol
LogP1.13
Rot. Bonds4

About N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide

N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide (PubChem CID 81393673) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
PubChem CID81393673
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NC(N)=O)C1CCCCCC1
InChIInChI=1S/C12H23N3O2/c1-9(10-6-4-2-3-5-7-10)14-8-11(16)15-12(13)17/h9-10,14H,2-8H2,1H3,(H3,13,15,16,17)/t9-/m1/s1
InChIKeyNENCCNMLIYIRLP-SECBINFHSA-N
XLogP1.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81392535
2-[[(1R)-1-cyclohexylethyl]amino]-N-ethylacetamide
CID 81385685
N-tert-butyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393192
ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81385124
2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81393575
2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide
CID 81393570
2-amino-3-[[(1R)-1-cycloheptylethyl]amino]propanamide
CID 103257937
2-[[(1R)-1-cyclopentylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81388594
2-(1-cyclohexylethylamino)-N-pentan-2-ylacetamide
CID 62406812
N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393576
N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide
CID 62407707
2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide
CID 77029717

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide?
The IUPAC name of N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide (CID 81393673) is N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide?
The canonical SMILES for N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide is C[C@@H](NCC(=O)NC(N)=O)C1CCCCCC1.
What is the InChIKey of N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide?
The InChIKey is NENCCNMLIYIRLP-SECBINFHSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(10-6-4-2-3-5-7-10)14-8-11(16)15-12(13)17/h9-10,14H,2-8H2,1H3,(H3,13,15,16,17)/t9-/m1/s1.
What are the key properties of N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide?
N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide has a molecular weight of 241.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide is sourced from PubChem (CID 81393673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).