2-chloro-N-(3-propoxypropylcarbamoyl)propanamide

C10H19ClN2O3 — CID 82943855

IUPAC2-chloro-N-(3-propoxypropylcarbamoyl)propanamide
SMILESCCCOCCCNC(=O)NC(=O)C(C)Cl
InChIInChI=1S/C10H19ClN2O3/c1-3-6-16-7-4-5-12-10(15)13-9(14)8(2)11/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeySLOXDIRJINPYMD-UHFFFAOYSA-N
MW250.73 g/mol
LogP1.26
Rot. Bonds7

About 2-chloro-N-(3-propoxypropylcarbamoyl)propanamide

2-chloro-N-(3-propoxypropylcarbamoyl)propanamide (PubChem CID 82943855) has the molecular formula C10H19ClN2O3 and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-chloro-N-(3-propoxypropylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(3-propoxypropylcarbamoyl)propanamide
PubChem CID82943855
Molecular FormulaC10H19ClN2O3
Molecular Weight250.73 g/mol
Exact Mass250.11
IUPAC Name2-chloro-N-(3-propoxypropylcarbamoyl)propanamide
SMILESCCCOCCCNC(=O)NC(=O)C(C)Cl
InChIInChI=1S/C10H19ClN2O3/c1-3-6-16-7-4-5-12-10(15)13-9(14)8(2)11/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeySLOXDIRJINPYMD-UHFFFAOYSA-N
XLogP1.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(3-butoxypropyl)-2-chloropropanamide
CID 92660561
N-(2-butoxyethyl)-2-chloropropanamide
CID 61177206
(2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82943097
5-(2-chloropropanoylcarbamoylamino)pentanamide
CID 106239873
2-chloro-N-(7-methyloctylcarbamoyl)propanamide
CID 114004357
2-chloro-N-[[2-(ethylamino)-2-oxoethyl]carbamoyl]propanamide
CID 43566494
3-hydroxy-2-(3-propoxypropylcarbamoylamino)butanoic acid
CID 82943538
N-(3-methoxypropyl)-2-(3-propoxypropylamino)propanamide
CID 82943912
2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82943732
1-(3-propoxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 116657251
(2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide
CID 92660589
1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea
CID 22381487

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-propoxypropylcarbamoyl)propanamide?
The IUPAC name of 2-chloro-N-(3-propoxypropylcarbamoyl)propanamide (CID 82943855) is 2-chloro-N-(3-propoxypropylcarbamoyl)propanamide.
What is the SMILES notation for 2-chloro-N-(3-propoxypropylcarbamoyl)propanamide?
The canonical SMILES for 2-chloro-N-(3-propoxypropylcarbamoyl)propanamide is CCCOCCCNC(=O)NC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-(3-propoxypropylcarbamoyl)propanamide?
The InChIKey is SLOXDIRJINPYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O3/c1-3-6-16-7-4-5-12-10(15)13-9(14)8(2)11/h8H,3-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-chloro-N-(3-propoxypropylcarbamoyl)propanamide?
2-chloro-N-(3-propoxypropylcarbamoyl)propanamide has a molecular weight of 250.73 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-propoxypropylcarbamoyl)propanamide is sourced from PubChem (CID 82943855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).