N-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide

C10H21N3O3 — CID 112991240

IUPACN-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide
SMILESCOCCCNC(=O)CNC(=O)NC(C)C
InChIInChI=1S/C10H21N3O3/c1-8(2)13-10(15)12-7-9(14)11-5-4-6-16-3/h8H,4-7H2,1-3H3,(H,11,14)(H2,12,13,15)
InChIKeyBBMZVLIZWHHQJB-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.15
Rot. Bonds7

About N-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide

N-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide (PubChem CID 112991240) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide
PubChem CID112991240
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide
SMILESCOCCCNC(=O)CNC(=O)NC(C)C
InChIInChI=1S/C10H21N3O3/c1-8(2)13-10(15)12-7-9(14)11-5-4-6-16-3/h8H,4-7H2,1-3H3,(H,11,14)(H2,12,13,15)
InChIKeyBBMZVLIZWHHQJB-UHFFFAOYSA-N
XLogP-0.15
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide
CID 82108968
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea
CID 176960300
2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide
CID 47318586
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 115574241
1-(3-ethenoxypropyl)-3-propan-2-ylurea
CID 59741503
3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 113405687
2-(2-hydroxyethylamino)-N-(3-methoxypropyl)acetamide
CID 60647414
2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid
CID 43466021
N-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687120
(2R)-2-(3-methoxypropylcarbamoylamino)-3-methylbutanoic acid
CID 79009625
1-(4-hydroxy-3-methylbutan-2-yl)-3-(3-methoxypropyl)urea
CID 111453729

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide (CID 112991240) is N-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide is COCCCNC(=O)CNC(=O)NC(C)C.
What is the InChIKey of N-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide?
The InChIKey is BBMZVLIZWHHQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-8(2)13-10(15)12-7-9(14)11-5-4-6-16-3/h8H,4-7H2,1-3H3,(H,11,14)(H2,12,13,15).
What are the key properties of N-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide?
N-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide has a molecular weight of 231.30 g/mol, XLogP of -0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide is sourced from PubChem (CID 112991240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).