N-carbamoyl-2-(4-hydroxy-4-methylazepan-1-yl)propanamide

C11H21N3O3 — CID 107407893

IUPACN-carbamoyl-2-(4-hydroxy-4-methylazepan-1-yl)propanamide
SMILESCC(C(=O)NC(N)=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C11H21N3O3/c1-8(9(15)13-10(12)16)14-6-3-4-11(2,17)5-7-14/h8,17H,3-7H2,1-2H3,(H3,12,13,15,16)
InChIKeyFKNICMZGQCWCBR-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.19
Rot. Bonds2

About N-carbamoyl-2-(4-hydroxy-4-methylazepan-1-yl)propanamide

N-carbamoyl-2-(4-hydroxy-4-methylazepan-1-yl)propanamide (PubChem CID 107407893) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-carbamoyl-2-(4-hydroxy-4-methylazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-hydroxy-4-methylazepan-1-yl)propanamide
PubChem CID107407893
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN-carbamoyl-2-(4-hydroxy-4-methylazepan-1-yl)propanamide
SMILESCC(C(=O)NC(N)=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C11H21N3O3/c1-8(9(15)13-10(12)16)14-6-3-4-11(2,17)5-7-14/h8,17H,3-7H2,1-2H3,(H3,12,13,15,16)
InChIKeyFKNICMZGQCWCBR-UHFFFAOYSA-N
XLogP-0.19
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-(3-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 115874185
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 63124488
2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide
CID 107404839
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide
CID 63339692
N-carbamoyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42950769
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid
CID 113431131
methyl 3-(4-hydroxy-4-methylazepan-1-yl)butanoate
CID 107405180
1-(3-hydroxybutan-2-yl)-4-methylazepan-4-ol
CID 107407212
methyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylbutanoate
CID 81097557
1-(4-bromophenyl)-2-(4-hydroxy-4-methylazepan-1-yl)propan-1-one
CID 107405309
N-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 55256660
2-[4-(2-aminoethyl)piperazin-1-yl]-N-carbamoylpropanamide
CID 43252611

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-hydroxy-4-methylazepan-1-yl)propanamide?
The IUPAC name of N-carbamoyl-2-(4-hydroxy-4-methylazepan-1-yl)propanamide (CID 107407893) is N-carbamoyl-2-(4-hydroxy-4-methylazepan-1-yl)propanamide.
What is the SMILES notation for N-carbamoyl-2-(4-hydroxy-4-methylazepan-1-yl)propanamide?
The canonical SMILES for N-carbamoyl-2-(4-hydroxy-4-methylazepan-1-yl)propanamide is CC(C(=O)NC(N)=O)N1CCCC(C)(O)CC1.
What is the InChIKey of N-carbamoyl-2-(4-hydroxy-4-methylazepan-1-yl)propanamide?
The InChIKey is FKNICMZGQCWCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-8(9(15)13-10(12)16)14-6-3-4-11(2,17)5-7-14/h8,17H,3-7H2,1-2H3,(H3,12,13,15,16).
What are the key properties of N-carbamoyl-2-(4-hydroxy-4-methylazepan-1-yl)propanamide?
N-carbamoyl-2-(4-hydroxy-4-methylazepan-1-yl)propanamide has a molecular weight of 243.31 g/mol, XLogP of -0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-hydroxy-4-methylazepan-1-yl)propanamide is sourced from PubChem (CID 107407893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).